Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 5 | 139 | 66 | None | -2 | 28 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2020.127511 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acsmedchemlett.1c00694 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm801354e | ||
| 4376990 | 192397 | 4 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5207529 | 192397 | 4 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222754 | 192397 | 4 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 4376990 | 192397 | 4 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5207529 | 192397 | 4 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222754 | 192397 | 4 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/ml200206z | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm5019274 | ||
| 439280 | 119501 | 104 | None | -3 | 7 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
| 6971044 | 119501 | 104 | None | -3 | 7 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL350221 | 119501 | 104 | None | -3 | 7 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2013.03.066 | ||
| 439280 | 119501 | 104 | None | -3 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
| 6971044 | 119501 | 104 | None | -3 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL350221 | 119501 | 104 | None | -3 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1021/acs.jmedchem.5b01153 | ||
| 168293874 | 191571 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5204071 | 191571 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 168293874 | 191571 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5204071 | 191571 | 0 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01194 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| 166 | 3295 | 12 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1021/jm0709034 | ||
| 3045227 | 3295 | 12 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1021/jm0709034 | ||
| CHEMBL76781 | 3295 | 12 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1021/jm0709034 | ||
| 4407909 | 192254 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5182943 | 192254 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221893 | 192254 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 44315993 | 172298 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL451543 | 172298 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| 4407909 | 192254 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5182943 | 192254 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221893 | 192254 | 1 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 16115269 | 137588 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| CHEMBL376676 | 137588 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| 9881885 | 63763 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL180815 | 63763 | 0 | None | -19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 17954204 | 63592 | 20 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1021/jm0709034 | ||
| CHEMBL180668 | 63592 | 20 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1021/jm0709034 | ||
| 10465263 | 63986 | 55 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL181172 | 63986 | 55 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| 11938 | 2369 | 5 | None | -75 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| 146192952 | 2369 | 5 | None | -75 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| CHEMBL4468760 | 2369 | 5 | None | -75 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| 59312249 | 111168 | 0 | None | -8 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(C(C)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
| CHEMBL3286565 | 111168 | 0 | None | -8 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(C(C)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
| 122442324 | 137809 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770174 | 137809 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771386 | 137809 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 10379910 | 62956 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.3 | COc1cc2c(cc1Br)C(C(C)C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL179329 | 62956 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.3 | COc1cc2c(cc1Br)C(C(C)C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 17954204 | 63592 | 20 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL180668 | 63592 | 20 | None | -81 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 181 | 0 | 1 | 1 | 2.0 | Clc1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 122442324 | 137809 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770174 | 137809 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771386 | 137809 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 11493484 | 88627 | 0 | None | -23 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337106 | 88627 | 0 | None | -23 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365079 | 88627 | 0 | None | -23 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 46230097 | 197675 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590816 | 197675 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
| 122442251 | 137819 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770225 | 137819 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771396 | 137819 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 4312735 | 192262 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5183950 | 192262 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221924 | 192262 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 4312735 | 192262 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5183950 | 192262 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221924 | 192262 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 122442251 | 137819 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770225 | 137819 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771396 | 137819 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44573155 | 188560 | 0 | None | 6 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 4 | 2 | 3 | 1.1 | O=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL511044 | 188560 | 0 | None | 6 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 4 | 2 | 3 | 1.1 | O=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 168282202 | 192272 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5185430 | 192272 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221991 | 192272 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 168282202 | 192272 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5185430 | 192272 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221991 | 192272 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 44412404 | 77400 | 5 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 206 | 1 | 1 | 2 | 1.6 | Fc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL209106 | 77400 | 5 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 206 | 1 | 1 | 2 | 1.6 | Fc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| 70693928 | 74121 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 253 | 5 | 1 | 2 | 3.3 | NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 | 10.1021/ml200206z | ||
| CHEMBL2022192 | 74121 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 253 | 5 | 1 | 2 | 3.3 | NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 | 10.1021/ml200206z | ||
| CHEMBL2028036 | 74121 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 253 | 5 | 1 | 2 | 3.3 | NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 | 10.1021/ml200206z | ||
| 162652937 | 183070 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4751981 | 183070 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802812 | 183070 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2009.07.063 | ||
| 168 | 3907 | 11 | None | 3 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
| 6604042 | 3907 | 11 | None | 3 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL309760 | 3907 | 11 | None | 3 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
| 157 | 2030 | 5 | None | -4 | 4 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
| 9840090 | 2030 | 5 | None | -4 | 4 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
| CHEMBL134519 | 2030 | 5 | None | -4 | 4 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
| 157 | 2030 | 5 | None | -4 | 4 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1016/j.bmcl.2007.03.073 | ||
| 9840090 | 2030 | 5 | None | -4 | 4 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1016/j.bmcl.2007.03.073 | ||
| CHEMBL134519 | 2030 | 5 | None | -4 | 4 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1016/j.bmcl.2007.03.073 | ||
| 10465263 | 63986 | 55 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL181172 | 63986 | 55 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 162652937 | 183070 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4751981 | 183070 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802812 | 183070 | 0 | None | -67 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 134265627 | 163450 | 0 | None | -602 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4208452 | 163450 | 0 | None | -602 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1 | 10.1021/acsmedchemlett.8b00328 | ||
| 53324327 | 56541 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)ccn1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643857 | 56541 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)ccn1 | 10.1016/j.bmcl.2010.11.089 | ||
| 44572176 | 12438 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 239 | 2 | 1 | 1 | 2.8 | Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 | 10.1021/jm801354e | ||
| CHEMBL1186735 | 12438 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 239 | 2 | 1 | 1 | 2.8 | Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 | 10.1021/jm801354e | ||
| CHEMBL475641 | 12438 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 239 | 2 | 1 | 1 | 2.8 | Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 | 10.1021/jm801354e | ||
| 44572207 | 12578 | 0 | None | -8 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 213 | 2 | 1 | 1 | 2.9 | Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F | 10.1021/jm801354e | ||
| CHEMBL1187556 | 12578 | 0 | None | -8 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 213 | 2 | 1 | 1 | 2.9 | Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F | 10.1021/jm801354e | ||
| CHEMBL508680 | 12578 | 0 | None | -8 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 213 | 2 | 1 | 1 | 2.9 | Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F | 10.1021/jm801354e | ||
| 11492162 | 71694 | 2 | None | -11 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL197646 | 71694 | 2 | None | -11 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 53317924 | 56542 | 0 | None | -6 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 406 | 4 | 1 | 7 | 1.7 | CC(=O)N(C)c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643858 | 56542 | 0 | None | -6 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 406 | 4 | 1 | 7 | 1.7 | CC(=O)N(C)c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| 44572180 | 12440 | 1 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1ccc([C@H]2C[C@@H]2CN)cc1C | 10.1021/jm801354e | ||
| CHEMBL1186737 | 12440 | 1 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1ccc([C@H]2C[C@@H]2CN)cc1C | 10.1021/jm801354e | ||
| CHEMBL475643 | 12440 | 1 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1ccc([C@H]2C[C@@H]2CN)cc1C | 10.1021/jm801354e | ||
| 11151653 | 90656 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397896 | 90656 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 54587668 | 61115 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770378 | 61115 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| 1355 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
| 142 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL478 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
| DB12110 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.063 | ||
| 44573156 | 186704 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 0.6 | CN(C)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL492949 | 186704 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 0.6 | CN(C)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 1355 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
| 142 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
| CHEMBL478 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
| DB12110 | 1972 | 82 | None | -5 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.07.136 | ||
| 168285159 | 192302 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5196522 | 192302 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222172 | 192302 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 23652278 | 62287 | 16 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL178365 | 62287 | 16 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| 11608308 | 63963 | 3 | None | -407 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
| CHEMBL181076 | 63963 | 3 | None | -407 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
| 162658803 | 183100 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4759878 | 183100 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803107 | 183100 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 168285159 | 192302 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5196522 | 192302 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222172 | 192302 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 162658803 | 183100 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4759878 | 183100 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803107 | 183100 | 0 | None | -14 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 134265732 | 163244 | 0 | None | -1000 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 2 | 1 | 3 | 2.3 | FC(F)(F)CCc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4206126 | 163244 | 0 | None | -1000 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 2 | 1 | 3 | 2.3 | FC(F)(F)CCc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| 134265665 | 164236 | 0 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 231 | 2 | 1 | 3 | 1.8 | CCCc1cncc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4218374 | 164236 | 0 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 231 | 2 | 1 | 3 | 1.8 | CCCc1cncc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| 44572751 | 12378 | 1 | None | -16 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL1186509 | 12378 | 1 | None | -16 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL467736 | 12378 | 1 | None | -16 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| 53321948 | 56495 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643677 | 56495 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
| 189 | 3423 | 31 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jmedchem.0c00424 | ||
| 5163 | 3423 | 31 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jmedchem.0c00424 | ||
| CHEMBL297784 | 3423 | 31 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jmedchem.0c00424 | ||
| 44431699 | 87847 | 0 | None | -14 | 3 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 315 | 4 | 1 | 6 | 1.7 | Cc1noc(Cc2c3c(c(C[C@@H](C)N)c4c2OCC4)OCC3)n1 | 10.1016/j.bmcl.2007.03.073 | ||
| CHEMBL234837 | 87847 | 0 | None | -14 | 3 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 315 | 4 | 1 | 6 | 1.7 | Cc1noc(Cc2c3c(c(C[C@@H](C)N)c4c2OCC4)OCC3)n1 | 10.1016/j.bmcl.2007.03.073 | ||
| 10015414 | 63140 | 0 | None | -32 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 259 | 1 | 1 | 2 | 3.0 | COc1cc2c(cc1C(F)(F)F)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL179915 | 63140 | 0 | None | -32 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 259 | 1 | 1 | 2 | 3.0 | COc1cc2c(cc1C(F)(F)F)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 16115271 | 78683 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| CHEMBL2113264 | 78683 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| 44572168 | 12363 | 1 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl | 10.1021/jm801354e | ||
| CHEMBL1186458 | 12363 | 1 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl | 10.1021/jm801354e | ||
| CHEMBL464475 | 12363 | 1 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl | 10.1021/jm801354e | ||
| 10036629 | 64291 | 0 | None | -9 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL181787 | 64291 | 0 | None | -9 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 23652278 | 62287 | 16 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL178365 | 62287 | 16 | None | -83 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | C[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 25084025 | 12577 | 1 | None | -10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1cccc(Br)c1 | 10.1021/jm801354e | ||
| CHEMBL1187522 | 12577 | 1 | None | -10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1cccc(Br)c1 | 10.1021/jm801354e | ||
| CHEMBL506727 | 12577 | 1 | None | -10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1cccc(Br)c1 | 10.1021/jm801354e | ||
| 45484687 | 196777 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 1.9 | O=c1cc2c(nn1Cc1ccccc1OC(F)(F)F)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL577410 | 196777 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 1.9 | O=c1cc2c(nn1Cc1ccccc1OC(F)(F)F)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 53323196 | 56540 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cncc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643856 | 56540 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1cncc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
| 118736623 | 118478 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 267 | 3 | 2 | 3 | 2.4 | CNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| CHEMBL3425755 | 118478 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 267 | 3 | 2 | 3 | 2.4 | CNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| 118733808 | 120131 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
| CHEMBL3416056 | 120131 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
| CHEMBL3546908 | 120131 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
| 44573231 | 186701 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL492911 | 186701 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 216 | 2809 | 29 | None | 1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 10.1021/jm0709034 | ||
| 9815618 | 2809 | 29 | None | 1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 10.1021/jm0709034 | ||
| CHEMBL253811 | 2809 | 29 | None | 1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 10.1021/jm0709034 | ||
| 162653458 | 183074 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4753812 | 183074 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802839 | 183074 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 10331841 | 168627 | 6 | None | -158 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL440752 | 168627 | 6 | None | -158 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 44412389 | 77727 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL210215 | 77727 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| 162653458 | 183074 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4753812 | 183074 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802839 | 183074 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 11447552 | 62184 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
| CHEMBL178231 | 62184 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1021/jm0709034 | ||
| 54585653 | 61121 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 2 | 1 | 3 | 2.8 | FC(F)(F)c1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770385 | 61121 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 2 | 1 | 3 | 2.8 | FC(F)(F)c1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| 11427139 | 84249 | 0 | None | -38 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL222566 | 84249 | 0 | None | -38 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 53325937 | 56496 | 0 | None | -53 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643678 | 56496 | 0 | None | -53 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| 25070581 | 61117 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770380 | 61117 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| 134265616 | 163848 | 0 | None | -1548 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4213447 | 163848 | 0 | None | -1548 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| 122442286 | 137810 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769987 | 137810 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771387 | 137810 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 118733798 | 120124 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416051 | 120124 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546894 | 120124 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 44573220 | 186858 | 0 | None | 4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 294 | 4 | 1 | 3 | 1.4 | CN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL493951 | 186858 | 0 | None | 4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 294 | 4 | 1 | 3 | 1.4 | CN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 162658689 | 183098 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4759181 | 183098 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803103 | 183098 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 122442272 | 137807 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44572371 | 12406 | 0 | None | -5 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1cccc(C#CCCCCO)c1 | 10.1021/jm801354e | ||
| CHEMBL1186608 | 12406 | 0 | None | -5 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1cccc(C#CCCCCO)c1 | 10.1021/jm801354e | ||
| CHEMBL472678 | 12406 | 0 | None | -5 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1cccc(C#CCCCCO)c1 | 10.1021/jm801354e | ||
| 162658689 | 183098 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4759181 | 183098 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803103 | 183098 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 122442272 | 137807 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 16115652 | 83064 | 0 | None | -15 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL220211 | 83064 | 0 | None | -15 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 54580776 | 61118 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770381 | 61118 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| 118736624 | 118479 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 4 | 2 | 3 | 2.8 | CCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| CHEMBL3425756 | 118479 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 4 | 2 | 3 | 2.8 | CCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| 44573229 | 172097 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc2c(c1)CCNCC2)c1ccccc1F | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL449999 | 172097 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1ccc2c(c1)CCNCC2)c1ccccc1F | 10.1016/j.bmcl.2009.02.071 | ||
| 42601405 | 192043 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 287 | 2 | 1 | 3 | 2.2 | O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL521805 | 192043 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 287 | 2 | 1 | 3 | 2.2 | O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 11221167 | 84243 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL222514 | 84243 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 162657053 | 183089 | 0 | None | -20 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4757214 | 183089 | 0 | None | -20 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803017 | 183089 | 0 | None | -20 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 10401602 | 122540 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCOc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL360968 | 122540 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCOc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 11447552 | 62184 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL178231 | 62184 | 4 | None | -239 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2004.12.080 | ||
| 25070907 | 61113 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770376 | 61113 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| 44572369 | 12337 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.7 | C#Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL1186108 | 12337 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.7 | C#Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL450178 | 12337 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.7 | C#Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| 46228438 | 198292 | 0 | None | -1862 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL595195 | 198292 | 0 | None | -1862 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 45485742 | 196136 | 0 | None | -18 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 318 | 5 | 1 | 5 | 2.2 | Clc1ccccc1CCOc1cncc(N2CCNCC2)n1 | 10.1016/j.bmcl.2009.07.136 | ||
| CHEMBL572228 | 196136 | 0 | None | -18 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 318 | 5 | 1 | 5 | 2.2 | Clc1ccccc1CCOc1cncc(N2CCNCC2)n1 | 10.1016/j.bmcl.2009.07.136 | ||
| 44412405 | 77413 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 1 | 1 | 1 | 3.4 | FC(F)(F)c1cccc([C@H]2CC[C@H]3CNC[C@@H]23)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL209155 | 77413 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 1 | 1 | 1 | 3.4 | FC(F)(F)c1cccc([C@H]2CC[C@H]3CNC[C@@H]23)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| 11777150 | 62261 | 0 | None | -63 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 0 | 2 | 2 | 2.4 | CC1CNCCc2cc(O)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL178313 | 62261 | 0 | None | -63 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 0 | 2 | 2 | 2.4 | CC1CNCCc2cc(O)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 11414184 | 83071 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL220274 | 83071 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
| 122442324 | 137809 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770174 | 137809 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771386 | 137809 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442324 | 137809 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770174 | 137809 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771386 | 137809 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44573216 | 186745 | 0 | None | 4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 268 | 4 | 2 | 3 | 1.1 | CCCNS(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL493151 | 186745 | 0 | None | 4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 268 | 4 | 2 | 3 | 1.1 | CCCNS(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 44572759 | 12341 | 1 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| CHEMBL1186135 | 12341 | 1 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| CHEMBL451368 | 12341 | 1 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| 24773650 | 154147 | 2 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)CCNCC2C | 10.1021/jm0709034 | ||
| CHEMBL399750 | 154147 | 2 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)CCNCC2C | 10.1021/jm0709034 | ||
| 118733818 | 120140 | 0 | None | -181 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416061 | 120140 | 0 | None | -181 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546956 | 120140 | 0 | None | -181 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 168294162 | 192399 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5208129 | 192399 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222770 | 192399 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 10331841 | 168627 | 6 | None | -158 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1021/jm0709034 | ||
| CHEMBL440752 | 168627 | 6 | None | -158 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 239 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Br)cc21 | 10.1021/jm0709034 | ||
| 168294162 | 192399 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5208129 | 192399 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222770 | 192399 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 135453290 | 133070 | 23 | None | 1 | 8 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL371300 | 133070 | 23 | None | 1 | 8 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 166 | 3295 | 12 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmc.2007.10.100 | ||
| 3045227 | 3295 | 12 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmc.2007.10.100 | ||
| CHEMBL76781 | 3295 | 12 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmc.2007.10.100 | ||
| 36906 | 104388 | 68 | None | 1 | 4 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
| CHEMBL31115 | 104388 | 68 | None | 1 | 4 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
| 44572367 | 12421 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO | 10.1021/jm801354e | ||
| CHEMBL1186673 | 12421 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO | 10.1021/jm801354e | ||
| CHEMBL474230 | 12421 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 243 | 5 | 2 | 2 | 2.3 | NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO | 10.1021/jm801354e | ||
| 168291130 | 192364 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5201835 | 192364 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222548 | 192364 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 168291130 | 192364 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5201835 | 192364 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222548 | 192364 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 11290492 | 137461 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL376456 | 137461 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 11499800 | 88664 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337503 | 88664 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365465 | 88664 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 122442254 | 137804 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770963 | 137804 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771381 | 137804 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442254 | 137804 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770963 | 137804 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771381 | 137804 | 0 | None | -26 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44572810 | 12531 | 2 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
| CHEMBL1187196 | 12531 | 2 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
| CHEMBL493130 | 12531 | 2 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
| 150 | 2463 | 18 | None | -2 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| 1764 | 2463 | 18 | None | -2 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| 8226 | 2463 | 18 | None | -2 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| CHEMBL1201356 | 2463 | 18 | None | -2 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| DB00353 | 2463 | 18 | None | -2 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| 134265663 | 163116 | 0 | None | -19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 243 | 1 | 1 | 3 | 2.1 | c1cc(C2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4204710 | 163116 | 0 | None | -19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 243 | 1 | 1 | 3 | 2.1 | c1cc(C2CCC2)c2c(n1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| 53317923 | 56537 | 0 | None | -5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643853 | 56537 | 0 | None | -5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 | 10.1016/j.bmcl.2010.11.089 | ||
| 53325936 | 56493 | 0 | None | -12 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 335 | 3 | 1 | 6 | 1.7 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643675 | 56493 | 0 | None | -12 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 335 | 3 | 1 | 6 | 1.7 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| 122442293 | 137801 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770599 | 137801 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771378 | 137801 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
| 122442293 | 137801 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770599 | 137801 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771378 | 137801 | 0 | None | -19 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1c(OCCF)ccc(F)c1F | 10.1021/acs.jmedchem.5b01153 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| 16115381 | 83016 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| CHEMBL219837 | 83016 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| 44572166 | 12339 | 0 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
| CHEMBL1186133 | 12339 | 0 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
| CHEMBL451232 | 12339 | 0 | None | -7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
| 118736626 | 118480 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 307 | 5 | 2 | 3 | 3.2 | c1ccc(Cc2cc3c(c(NCC4CC4)n2)CCNCC3)cc1 | 10.1021/ml500507v | ||
| CHEMBL3425758 | 118480 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 307 | 5 | 2 | 3 | 3.2 | c1ccc(Cc2cc3c(c(NCC4CC4)n2)CCNCC3)cc1 | 10.1021/ml500507v | ||
| 18735305 | 203215 | 0 | None | 2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76301 | 203215 | 0 | None | 2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 54583742 | 61112 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770375 | 61112 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccccc1Cc1ncc2c(n1)CCNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| 44389645 | 63835 | 0 | None | -72 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL180867 | 63835 | 0 | None | -72 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 118733790 | 120146 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416047 | 120146 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546973 | 120146 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 44572753 | 12579 | 3 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@@H]1C[C@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL1187565 | 12579 | 3 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@@H]1C[C@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL509418 | 12579 | 3 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@@H]1C[C@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| 53321947 | 56489 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 257 | 1 | 1 | 5 | 1.0 | c1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643671 | 56489 | 0 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 257 | 1 | 1 | 5 | 1.0 | c1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
| 44431701 | 87702 | 0 | None | -8 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 311 | 4 | 1 | 6 | 3.4 | Cc1noc(Cc2c3ccoc3c(C[C@@H](C)N)c3ccoc23)n1 | 10.1016/j.bmcl.2007.03.073 | ||
| CHEMBL234682 | 87702 | 0 | None | -8 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 311 | 4 | 1 | 6 | 3.4 | Cc1noc(Cc2c3ccoc3c(C[C@@H](C)N)c3ccoc23)n1 | 10.1016/j.bmcl.2007.03.073 | ||
| 44409290 | 74287 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL203013 | 74287 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 10017556 | 161318 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.5 | CC(C)Oc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL415029 | 161318 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 297 | 2 | 1 | 2 | 3.5 | CC(C)Oc1cc2c(cc1Br)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 118733760 | 120113 | 1 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416032 | 120113 | 1 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546869 | 120113 | 1 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 11630623 | 88656 | 0 | None | -213 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337499 | 88656 | 0 | None | -213 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365399 | 88656 | 0 | None | -213 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 58911653 | 90671 | 0 | None | -25 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397911 | 90671 | 0 | None | -25 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 168291896 | 192373 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5201903 | 192373 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222595 | 192373 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 145 | 140 | 48 | None | -134 | 12 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| 1832 | 140 | 48 | None | -134 | 12 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| CHEMBL7257 | 140 | 48 | None | -134 | 12 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| DB14010 | 140 | 48 | None | -134 | 12 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| 25070911 | 111167 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 324 | 3 | 1 | 5 | 1.6 | c1ccc(Cc2nc3c(c(N4CCOCC4)n2)CCNCC3)cc1 | 10.1021/jm5003292 | ||
| CHEMBL3286564 | 111167 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 324 | 3 | 1 | 5 | 1.6 | c1ccc(Cc2nc3c(c(N4CCOCC4)n2)CCNCC3)cc1 | 10.1021/jm5003292 | ||
| 168291564 | 192371 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5201470 | 192371 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222574 | 192371 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 168291896 | 192373 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5201903 | 192373 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222595 | 192373 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 332 | 1 | 3 | 2 | 4.4 | Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 122442250 | 137803 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770689 | 137803 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771380 | 137803 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm0709034 | ||
| 168291564 | 192371 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5201470 | 192371 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222574 | 192371 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 298 | 1 | 4 | 3 | 3.0 | Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 122442250 | 137803 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770689 | 137803 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771380 | 137803 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 24773816 | 94402 | 0 | None | -31 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL253805 | 94402 | 0 | None | -31 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
| 24773814 | 94405 | 1 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL253809 | 94405 | 1 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| 11264345 | 129864 | 5 | None | -120 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Cl)c(F)c21 | 10.1021/jm0709034 | ||
| CHEMBL368016 | 129864 | 5 | None | -120 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2ccc(Cl)c(F)c21 | 10.1021/jm0709034 | ||
| 122442300 | 137808 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769421 | 137808 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771385 | 137808 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| 122442300 | 137808 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769421 | 137808 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771385 | 137808 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| 146025684 | 183043 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4743977 | 183043 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802486 | 183043 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 162652983 | 183071 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4752412 | 183071 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802814 | 183071 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 146025684 | 183043 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4743977 | 183043 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802486 | 183043 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 245 | 5 | 1 | 3 | 2.2 | C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 162652983 | 183071 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4752412 | 183071 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802814 | 183071 | 0 | None | -12 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 3 | 2.5 | CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 45484673 | 197270 | 0 | None | -8 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL585012 | 197270 | 0 | None | -8 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 11595191 | 88617 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337488 | 88617 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2364960 | 88617 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 162658153 | 183093 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4758641 | 183093 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803076 | 183093 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 162658153 | 183093 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4758641 | 183093 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803076 | 183093 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 2.5 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 118736627 | 118481 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 295 | 5 | 2 | 3 | 3.2 | CCCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| CHEMBL3425759 | 118481 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 295 | 5 | 2 | 3 | 3.2 | CCCNc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| 118736631 | 118484 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 238 | 2 | 1 | 2 | 2.4 | c1ccc(Cc2cc3c(cn2)CCNCC3)cc1 | 10.1021/ml500507v | ||
| CHEMBL3425763 | 118484 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 238 | 2 | 1 | 2 | 2.4 | c1ccc(Cc2cc3c(cn2)CCNCC3)cc1 | 10.1021/ml500507v | ||
| 122442270 | 137805 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770753 | 137805 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771382 | 137805 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442270 | 137805 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770753 | 137805 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771382 | 137805 | 1 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 11952353 | 198168 | 0 | None | -1905 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL594469 | 198168 | 0 | None | -1905 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
| 11171955 | 90648 | 0 | None | -4 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397888 | 90648 | 0 | None | -4 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
| 44573002 | 12562 | 1 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Br)cc1 | 10.1021/jm801354e | ||
| CHEMBL1187408 | 12562 | 1 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Br)cc1 | 10.1021/jm801354e | ||
| CHEMBL501854 | 12562 | 1 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Br)cc1 | 10.1021/jm801354e | ||
| 16115511 | 84399 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL223466 | 84399 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 162643473 | 183023 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4777303 | 183023 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802306 | 183023 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 162643473 | 183023 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4777303 | 183023 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802306 | 183023 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 11300712 | 141142 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL385577 | 141142 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 44573018 | 12520 | 1 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 | 10.1021/jm801354e | ||
| CHEMBL1187169 | 12520 | 1 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 | 10.1021/jm801354e | ||
| CHEMBL492306 | 12520 | 1 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 | 10.1021/jm801354e | ||
| 24826869 | 90657 | 0 | None | -7 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397897 | 90657 | 0 | None | -7 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 16115654 | 136437 | 0 | None | -46 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL374562 | 136437 | 0 | None | -46 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 53324629 | 56490 | 0 | None | -4 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 271 | 1 | 1 | 5 | 1.4 | c1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643672 | 56490 | 0 | None | -4 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 271 | 1 | 1 | 5 | 1.4 | c1cc2nc3c(c(N4CCCCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
| 1355 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| 142 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| CHEMBL478 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| DB12110 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| 1355 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| 142 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL478 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| DB12110 | 1972 | 82 | None | -5 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| 46937339 | 73846 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/ml200206z | ||
| CHEMBL2023357 | 73846 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/ml200206z | ||
| 46937339 | 73846 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| CHEMBL2023357 | 73846 | 0 | None | -13 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 235 | 5 | 1 | 2 | 2.7 | NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| 16115392 | 84359 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL223292 | 84359 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 16115388 | 136828 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| CHEMBL375302 | 136828 | 0 | None | -2 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| 11209786 | 136703 | 0 | None | -208 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL375170 | 136703 | 0 | None | -208 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 9859257 | 203403 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL77880 | 203403 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| 168268877 | 189367 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5170784 | 189367 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 168268877 | 189367 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5170784 | 189367 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 230 | 4043 | 18 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.10.100 | ||
| 3045225 | 4043 | 18 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.10.100 | ||
| CHEMBL407909 | 4043 | 18 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.10.100 | ||
| 5 | 139 | 66 | None | -7 | 28 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| 5202 | 139 | 66 | None | -7 | 28 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| CHEMBL39 | 139 | 66 | None | -7 | 28 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| DB08839 | 139 | 66 | None | -7 | 28 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| 44572798 | 12526 | 2 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1cccc(F)c1 | 10.1021/jm801354e | ||
| CHEMBL1187187 | 12526 | 2 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1cccc(F)c1 | 10.1021/jm801354e | ||
| CHEMBL492926 | 12526 | 2 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1cccc(F)c1 | 10.1021/jm801354e | ||
| 46933845 | 15971 | 0 | None | -18 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224034 | 15971 | 0 | None | -18 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 54583743 | 61119 | 0 | None | 5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770382 | 61119 | 0 | None | 5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| 118736630 | 118483 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 281 | 3 | 1 | 3 | 2.4 | CN(C)c1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| CHEMBL3425762 | 118483 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 281 | 3 | 1 | 3 | 2.4 | CN(C)c1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| 122442263 | 137816 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769454 | 137816 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771393 | 137816 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44389646 | 64537 | 0 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL182184 | 64537 | 0 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 269 | 1 | 1 | 2 | 2.7 | COc1cc2c(cc1Br)[C@H](C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 122442263 | 137816 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769454 | 137816 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771393 | 137816 | 0 | None | -30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442260 | 137813 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769543 | 137813 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771390 | 137813 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 11949712 | 200466 | 0 | None | -3019 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL609306 | 200466 | 0 | None | -3019 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 118733764 | 120120 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416034 | 120120 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546890 | 120120 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 118733776 | 120126 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| CHEMBL3416040 | 120126 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| CHEMBL3546903 | 120126 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| 70687695 | 74114 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 5 | 1 | 2 | 2.5 | CCCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
| CHEMBL2022186 | 74114 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 5 | 1 | 2 | 2.5 | CCCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
| CHEMBL2027987 | 74114 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 5 | 1 | 2 | 2.5 | CCCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
| 134265675 | 163804 | 0 | None | -40 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4212834 | 163804 | 0 | None | -40 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.5 | Fc1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
| 162645074 | 183032 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4740346 | 183032 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802388 | 183032 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 162645074 | 183032 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4740346 | 183032 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802388 | 183032 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 259 | 5 | 1 | 3 | 3.5 | CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 11400855 | 12333 | 6 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@@H]1C[C@H]1c1ccccc1 | 10.1021/jm801354e | ||
| CHEMBL1186092 | 12333 | 6 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@@H]1C[C@H]1c1ccccc1 | 10.1021/jm801354e | ||
| CHEMBL449134 | 12333 | 6 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@@H]1C[C@H]1c1ccccc1 | 10.1021/jm801354e | ||
| 57799306 | 88666 | 0 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337493 | 88666 | 0 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365469 | 88666 | 0 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 122442260 | 137813 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769543 | 137813 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771390 | 137813 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44315697 | 203784 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80731 | 203784 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| 168268736 | 192177 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5177718 | 192177 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221369 | 192177 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 9990808 | 122244 | 0 | None | -51 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL360492 | 122244 | 0 | None | -51 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1021/jm0709034 | ||
| 168268736 | 192177 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5177718 | 192177 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221369 | 192177 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 1 | 3 | 2 | 3.6 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 11652452 | 88683 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337492 | 88683 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365703 | 88683 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 44572749 | 12316 | 1 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccccc1Cl | 10.1021/jm801354e | ||
| CHEMBL1185954 | 12316 | 1 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccccc1Cl | 10.1021/jm801354e | ||
| CHEMBL443128 | 12316 | 1 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccccc1Cl | 10.1021/jm801354e | ||
| 44412150 | 77365 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CCC3CNCC32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL208936 | 77365 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CCC3CNCC32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| 122442250 | 137803 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770689 | 137803 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771380 | 137803 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 16115644 | 136424 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL374436 | 136424 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 118736628 | 118482 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 295 | 4 | 2 | 3 | 3.2 | CC(C)Nc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| CHEMBL3425760 | 118482 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 295 | 4 | 2 | 3 | 3.2 | CC(C)Nc1nc(Cc2ccccc2)cc2c1CCNCC2 | 10.1021/ml500507v | ||
| 44573230 | 186700 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL492910 | 186700 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 305 | 2 | 1 | 3 | 2.3 | O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 3356430 | 192434 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5208864 | 192434 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222941 | 192434 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 70683433 | 74094 | 1 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 191 | 4 | 1 | 2 | 2.1 | CCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
| CHEMBL2022185 | 74094 | 1 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 191 | 4 | 1 | 2 | 2.1 | CCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
| CHEMBL2027895 | 74094 | 1 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 191 | 4 | 1 | 2 | 2.1 | CCOc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/ml200206z | ||
| 122442250 | 137803 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770689 | 137803 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771380 | 137803 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1cc(F)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442266 | 137802 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769499 | 137802 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771379 | 137802 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442266 | 137802 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769499 | 137802 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771379 | 137802 | 0 | None | -51 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44573016 | 12546 | 1 | None | -38 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1c(F)cccc1F | 10.1021/jm801354e | ||
| CHEMBL1187322 | 12546 | 1 | None | -38 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1c(F)cccc1F | 10.1021/jm801354e | ||
| CHEMBL498863 | 12546 | 1 | None | -38 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1c(F)cccc1F | 10.1021/jm801354e | ||
| 168272608 | 192181 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5177484 | 192181 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221391 | 192181 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 162657053 | 183089 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4757214 | 183089 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803017 | 183089 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 168272608 | 192181 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5177484 | 192181 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221391 | 192181 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 3356430 | 192434 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5208864 | 192434 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222941 | 192434 | 2 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 44573222 | 173730 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 1.5 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL455039 | 173730 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 1.5 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
| 118733766 | 120114 | 0 | None | -33 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416035 | 120114 | 0 | None | -33 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546870 | 120114 | 0 | None | -33 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 3.2 | CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 146025686 | 183167 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4790992 | 183167 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803813 | 183167 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 146025686 | 183167 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4790992 | 183167 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803813 | 183167 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 3.1 | C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 44572757 | 12525 | 1 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F | 10.1021/jm801354e | ||
| CHEMBL1187186 | 12525 | 1 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F | 10.1021/jm801354e | ||
| CHEMBL492917 | 12525 | 1 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F | 10.1021/jm801354e | ||
| 45484742 | 196831 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 3 | 2 | 3 | 1.7 | c1ccc(COc2n[nH]c3c2CCNCC3)cc1 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL577903 | 196831 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 243 | 3 | 2 | 3 | 1.7 | c1ccc(COc2n[nH]c3c2CCNCC3)cc1 | 10.1016/j.bmcl.2009.07.063 | ||
| 122442286 | 137810 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769987 | 137810 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771387 | 137810 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442286 | 137810 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769987 | 137810 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771387 | 137810 | 0 | None | -34 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44573221 | 192468 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 280 | 2 | 1 | 3 | 1.2 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL522514 | 192468 | 0 | None | -7 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 280 | 2 | 1 | 3 | 1.2 | O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCC1 | 10.1016/j.bmcl.2009.02.071 | ||
| 44622848 | 192734 | 0 | None | -11 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 1.0 | O=c1cc2c(nn1Cc1ccccc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL524778 | 192734 | 0 | None | -11 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 1.0 | O=c1cc2c(nn1Cc1ccccc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 9881119 | 203752 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80482 | 203752 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| 9990808 | 122244 | 0 | None | -51 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL360492 | 122244 | 0 | None | -51 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 0 | 1 | 1 | 2.7 | CC1CNCCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 44573012 | 12519 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1cccc(F)c1F | 10.1021/jm801354e | ||
| CHEMBL1187168 | 12519 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1cccc(F)c1F | 10.1021/jm801354e | ||
| CHEMBL492305 | 12519 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1cccc(F)c1F | 10.1021/jm801354e | ||
| 11206703 | 90647 | 0 | None | -12 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397887 | 90647 | 0 | None | -12 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
| 44572657 | 12346 | 5 | None | -7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@H]1C[C@@H]1c1ccccc1 | 10.1021/jm801354e | ||
| CHEMBL1186169 | 12346 | 5 | None | -7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@H]1C[C@@H]1c1ccccc1 | 10.1021/jm801354e | ||
| CHEMBL452719 | 12346 | 5 | None | -7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NC[C@H]1C[C@@H]1c1ccccc1 | 10.1021/jm801354e | ||
| 44573004 | 12399 | 1 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccc([C@H]2C[C@@H]2CN)cc1 | 10.1021/jm801354e | ||
| CHEMBL1186590 | 12399 | 1 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccc([C@H]2C[C@@H]2CN)cc1 | 10.1021/jm801354e | ||
| CHEMBL471202 | 12399 | 1 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccc([C@H]2C[C@@H]2CN)cc1 | 10.1021/jm801354e | ||
| 53325938 | 56497 | 0 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643679 | 56497 | 0 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
| 10105208 | 62155 | 0 | None | -83 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL178124 | 62155 | 0 | None | -83 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 1355 | 1972 | 82 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
| 142 | 1972 | 82 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
| CHEMBL478 | 1972 | 82 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
| DB12110 | 1972 | 82 | None | -5 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0709034 | ||
| 24773649 | 94373 | 0 | None | -10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL253591 | 94373 | 0 | None | -10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | C[C@H]1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
| 24773651 | 154306 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@H](C)CNCC2 | 10.1021/jm0709034 | ||
| CHEMBL400600 | 154306 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@H](C)CNCC2 | 10.1021/jm0709034 | ||
| 46228437 | 198291 | 0 | None | -39 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL595194 | 198291 | 0 | None | -39 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 24773895 | 94403 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| CHEMBL253806 | 94403 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| 122442270 | 137805 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770753 | 137805 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771382 | 137805 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 24773979 | 129634 | 17 | None | -12 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 161 | 0 | 1 | 1 | 1.9 | CC1CNCCc2ccccc21 | 10.1021/jm0709034 | ||
| CHEMBL367796 | 129634 | 17 | None | -12 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 161 | 0 | 1 | 1 | 1.9 | CC1CNCCc2ccccc21 | 10.1021/jm0709034 | ||
| 11264955 | 203243 | 0 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76474 | 203243 | 0 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| 152 | 361 | 18 | None | -2 | 6 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
| 2107 | 361 | 18 | None | -2 | 6 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
| CHEMBL275854 | 361 | 18 | None | -2 | 6 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
| 11708275 | 72352 | 3 | None | 1 | 3 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
| CHEMBL199775 | 72352 | 3 | None | 1 | 3 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
| 166 | 3295 | 12 | None | 2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
| 3045227 | 3295 | 12 | None | 2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76781 | 3295 | 12 | None | 2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2018.01.002 | ||
| 16047544 | 12524 | 7 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL1187185 | 12524 | 7 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL492916 | 12524 | 7 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
| 44572172 | 12424 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 179 | 2 | 1 | 1 | 2.2 | Cc1cc([C@H]2C[C@@H]2CN)ccc1F | 10.1021/jm801354e | ||
| CHEMBL1186686 | 12424 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 179 | 2 | 1 | 1 | 2.2 | Cc1cc([C@H]2C[C@@H]2CN)ccc1F | 10.1021/jm801354e | ||
| CHEMBL474633 | 12424 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 179 | 2 | 1 | 1 | 2.2 | Cc1cc([C@H]2C[C@@H]2CN)ccc1F | 10.1021/jm801354e | ||
| 16115267 | 84355 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| CHEMBL223272 | 84355 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| 9994008 | 165585 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCC1CNCCc2cc(OC)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL426235 | 165585 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.1 | CCC1CNCCc2cc(OC)c(Br)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 122442270 | 137805 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770753 | 137805 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771382 | 137805 | 1 | None | -6 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 22368315 | 63420 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 255 | 1 | 1 | 2 | 2.1 | COc1cc2c(cc1Br)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL180166 | 63420 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 255 | 1 | 1 | 2 | 2.1 | COc1cc2c(cc1Br)CCNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 134265618 | 163492 | 0 | None | -323 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNCC1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4209052 | 163492 | 0 | None | -323 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 2.1 | c1cc(CC2CCC2)c2c(n1)N1CCNCC1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| 46884138 | 8343 | 0 | None | -812 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1093699 | 8343 | 0 | None | -812 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| 44572812 | 12393 | 1 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 10.1021/jm801354e | ||
| CHEMBL1186561 | 12393 | 1 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 10.1021/jm801354e | ||
| CHEMBL469729 | 12393 | 1 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 10.1021/jm801354e | ||
| 54587669 | 61116 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770379 | 61116 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 253 | 2 | 1 | 3 | 2.1 | Cc1cccc(Cc2ncc3c(n2)CCNCC3)c1 | 10.1016/j.bmcl.2010.11.120 | ||
| 11609026 | 88684 | 0 | None | -125 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337500 | 88684 | 0 | None | -125 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365705 | 88684 | 0 | None | -125 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 44573014 | 12400 | 1 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)cc1F | 10.1021/jm801354e | ||
| CHEMBL1186595 | 12400 | 1 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)cc1F | 10.1021/jm801354e | ||
| CHEMBL471802 | 12400 | 1 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 2 | 1 | 1 | 2.0 | NC[C@H]1C[C@@H]1c1ccc(F)cc1F | 10.1021/jm801354e | ||
| 3568128 | 192321 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5195443 | 192321 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222291 | 192321 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 3568128 | 192321 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5195443 | 192321 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222291 | 192321 | 1 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 3 | 2 | 3 | 4.1 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 44420682 | 137070 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
| CHEMBL375642 | 137070 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
| 118733802 | 120128 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416053 | 120128 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546905 | 120128 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 168284548 | 192299 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5191889 | 192299 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222143 | 192299 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 168284548 | 192299 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5191889 | 192299 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222143 | 192299 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 312 | 1 | 3 | 2 | 4.1 | Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 118733788 | 120139 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416046 | 120139 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546955 | 120139 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 237 | 5 | 1 | 2 | 3.0 | C=CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| 146025689 | 183125 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4781163 | 183125 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803350 | 183125 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.6b01194 | ||
| 146025689 | 183125 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4781163 | 183125 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803350 | 183125 | 0 | None | -17 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 6 | 1 | 3 | 3.6 | C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 118733792 | 120147 | 0 | None | -12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416048 | 120147 | 0 | None | -12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546974 | 120147 | 0 | None | -12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 162659286 | 183103 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4762225 | 183103 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803142 | 183103 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 122442266 | 137802 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769499 | 137802 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771379 | 137802 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442266 | 137802 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769499 | 137802 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771379 | 137802 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 162659286 | 183103 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4762225 | 183103 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803142 | 183103 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 146025687 | 183123 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4779260 | 183123 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803306 | 183123 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 118733804 | 120129 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
| CHEMBL3416054 | 120129 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
| CHEMBL3546906 | 120129 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
| 162668367 | 183147 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4786831 | 183147 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803642 | 183147 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 122442309 | 137806 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769828 | 137806 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771383 | 137806 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| 168294156 | 192393 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5207023 | 192393 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222736 | 192393 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 162668367 | 183147 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4786831 | 183147 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803642 | 183147 | 0 | None | -21 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.3 | CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 168294156 | 192393 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5207023 | 192393 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222736 | 192393 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 122442254 | 137804 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770963 | 137804 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771381 | 137804 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442309 | 137806 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769828 | 137806 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771383 | 137806 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 245 | 5 | 1 | 2 | 2.4 | NCC1CC1c1cc(F)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| 44572164 | 12559 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F | 10.1021/jm801354e | ||
| CHEMBL1187390 | 12559 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F | 10.1021/jm801354e | ||
| CHEMBL501526 | 12559 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F | 10.1021/jm801354e | ||
| 146025687 | 183123 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4779260 | 183123 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803306 | 183123 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 46230099 | 197622 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590483 | 197622 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| 118733794 | 120148 | 0 | None | -72 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416049 | 120148 | 0 | None | -72 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546975 | 120148 | 0 | None | -72 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 235 | 4 | 1 | 2 | 2.4 | C#CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 122442254 | 137804 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770963 | 137804 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771381 | 137804 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 213 | 3 | 1 | 2 | 2.0 | COc1ccc(F)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442286 | 137810 | 0 | None | -34 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769987 | 137810 | 0 | None | -34 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771387 | 137810 | 0 | None | -34 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 3 | 1 | 2 | 2.6 | COc1ccc(Cl)c(F)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 45484682 | 196684 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 323 | 2 | 1 | 4 | 2.0 | O=c1cc2c(nn1Cc1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL576651 | 196684 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 323 | 2 | 1 | 4 | 2.0 | O=c1cc2c(nn1Cc1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| 44573153 | 186604 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 336 | 3 | 2 | 3 | 2.8 | O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL492348 | 186604 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 336 | 3 | 2 | 3 | 2.8 | O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 44573157 | 186705 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 316 | 3 | 1 | 3 | 2.2 | CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL492950 | 186705 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 316 | 3 | 1 | 3 | 2.2 | CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 134265622 | 164190 | 0 | None | -81 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 259 | 1 | 1 | 3 | 2.4 | CC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4217787 | 164190 | 0 | None | -81 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 259 | 1 | 1 | 3 | 2.4 | CC(C)(C)Cc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| 44412388 | 77805 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL210484 | 77805 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 272 | 1 | 1 | 4 | 1.7 | C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| 145966293 | 163891 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | Brc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4213971 | 163891 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | Brc1ccnc2c1CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| 18735309 | 203712 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80246 | 203712 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 118733814 | 120133 | 0 | None | -23 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
| CHEMBL3416059 | 120133 | 0 | None | -23 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
| CHEMBL3546910 | 120133 | 0 | None | -23 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
| 44572761 | 12556 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1ccccc1O | 10.1021/jm801354e | ||
| CHEMBL1187377 | 12556 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1ccccc1O | 10.1021/jm801354e | ||
| CHEMBL501117 | 12556 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1ccccc1O | 10.1021/jm801354e | ||
| 11302765 | 83818 | 2 | None | -309 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL221113 | 83818 | 2 | None | -309 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 11448649 | 83006 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL219734 | 83006 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 50878551 | 90300 | 60 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL2391541 | 90300 | 60 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 50878551 | 90300 | 60 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL2391541 | 90300 | 60 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 44572808 | 12582 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1cccc(O)c1 | 10.1021/jm801354e | ||
| CHEMBL1187585 | 12582 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1cccc(O)c1 | 10.1021/jm801354e | ||
| CHEMBL510383 | 12582 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 163 | 2 | 2 | 2 | 1.5 | NC[C@H]1C[C@@H]1c1cccc(O)c1 | 10.1021/jm801354e | ||
| 44431688 | 152196 | 0 | None | 1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 1.6 | COCCOCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
| CHEMBL397321 | 152196 | 0 | None | 1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 1.6 | COCCOCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
| 5 | 139 | 66 | None | -2 | 28 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
| 5202 | 139 | 66 | None | -2 | 28 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
| CHEMBL39 | 139 | 66 | None | -2 | 28 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
| DB08839 | 139 | 66 | None | -2 | 28 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmc.2007.10.100 | ||
| 135509961 | 135596 | 2 | None | -1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
| CHEMBL373245 | 135596 | 2 | None | -1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
| 9991444 | 62288 | 0 | None | -15 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL178366 | 62288 | 0 | None | -15 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1021/jm0709034 | ||
| 154699445 | 176842 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
| CHEMBL4638592 | 176842 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
| 11737032 | 84578 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL223896 | 84578 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 162674022 | 182629 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4796102 | 182629 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| 22292784 | 64248 | 12 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1021/jm0709034 | ||
| CHEMBL181672 | 64248 | 12 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1021/jm0709034 | ||
| 24773809 | 94428 | 0 | None | -63 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
| CHEMBL254009 | 94428 | 0 | None | -63 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
| 122442300 | 137808 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769421 | 137808 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771385 | 137808 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| 24773900 | 122903 | 8 | None | -6 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1021/jm0709034 | ||
| CHEMBL361742 | 122903 | 8 | None | -6 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1021/jm0709034 | ||
| 118733778 | 120135 | 0 | None | -19 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| CHEMBL3416041 | 120135 | 0 | None | -19 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| CHEMBL3546951 | 120135 | 0 | None | -19 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.2 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1 | 10.1021/jm5019274 | ||
| 50942111 | 56538 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643854 | 56538 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 1.7 | COc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 | 10.1016/j.bmcl.2010.11.089 | ||
| 45485725 | 196140 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 348 | 5 | 1 | 6 | 1.9 | C[C@@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O | 10.1016/j.bmcl.2009.07.136 | ||
| CHEMBL572252 | 196140 | 0 | None | -19 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 348 | 5 | 1 | 6 | 1.9 | C[C@@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O | 10.1016/j.bmcl.2009.07.136 | ||
| 122442300 | 137808 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769421 | 137808 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771385 | 137808 | 0 | None | -8 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1cc(Cl)c(F)cc1OCCF | 10.1021/acs.jmedchem.5b01153 | ||
| 44572698 | 12430 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 197 | 2 | 1 | 1 | 2.9 | NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 | 10.1021/jm801354e | ||
| CHEMBL1186700 | 12430 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 197 | 2 | 1 | 1 | 2.9 | NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 | 10.1021/jm801354e | ||
| CHEMBL474885 | 12430 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 197 | 2 | 1 | 1 | 2.9 | NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 | 10.1021/jm801354e | ||
| 162652562 | 183065 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4752604 | 183065 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802785 | 183065 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/acs.jmedchem.5b01153 | ||
| 11666237 | 88669 | 0 | None | -30 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337496 | 88669 | 0 | None | -30 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365472 | 88669 | 0 | None | -30 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 162652562 | 183065 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4752604 | 183065 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802785 | 183065 | 0 | None | -4 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.3 | NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12 | 10.1021/acs.jmedchem.6b01194 | ||
| 44572755 | 12338 | 1 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| CHEMBL1186115 | 12338 | 1 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| CHEMBL450599 | 12338 | 1 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1ccccc1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| 22292784 | 64248 | 12 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL181672 | 64248 | 12 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | CC1CNCCc2cc(Cl)ccc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 118733780 | 120115 | 0 | None | -7 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 255 | 6 | 1 | 3 | 2.4 | COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416042 | 120115 | 0 | None | -7 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 255 | 6 | 1 | 3 | 2.4 | COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546871 | 120115 | 0 | None | -7 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 255 | 6 | 1 | 3 | 2.4 | COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 3572096 | 192286 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5186011 | 192286 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222066 | 192286 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 3572096 | 192286 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5186011 | 192286 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222066 | 192286 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 294 | 1 | 2 | 1 | 4.2 | Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 162670523 | 183158 | 0 | None | -20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4790652 | 183158 | 0 | None | -20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803766 | 183158 | 0 | None | -20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 146025688 | 183102 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4761064 | 183102 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803134 | 183102 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| 146025688 | 183102 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4761064 | 183102 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803134 | 183102 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 277 | 6 | 1 | 3 | 3.4 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| 11313985 | 90638 | 0 | None | -18 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397878 | 90638 | 0 | None | -18 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 11949710 | 198210 | 0 | None | -50 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL594717 | 198210 | 0 | None | -50 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 118733772 | 120123 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416038 | 120123 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546893 | 120123 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 11737939 | 83798 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL220900 | 83798 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 11291 | 3157 | 23 | None | 1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1016/j.bmcl.2005.06.104 | ||
| 4980 | 3157 | 23 | None | 1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL65547 | 3157 | 23 | None | 1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1016/j.bmcl.2005.06.104 | ||
| 162670523 | 183158 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4790652 | 183158 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803766 | 183158 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 168283046 | 192280 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5185474 | 192280 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222039 | 192280 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 162676809 | 183200 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4799299 | 183200 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4804137 | 183200 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 4240627 | 192322 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5198376 | 192322 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222297 | 192322 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 162676809 | 183200 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4799299 | 183200 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4804137 | 183200 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 5 | 1 | 3 | 3.4 | C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 4240627 | 192322 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5198376 | 192322 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222297 | 192322 | 1 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 44431689 | 86807 | 0 | None | -44 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 383 | 7 | 1 | 6 | 2.6 | C[C@@H](N)Cc1c2c(c(COCC(=O)Oc3ccccc3)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
| CHEMBL232995 | 86807 | 0 | None | -44 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 383 | 7 | 1 | 6 | 2.6 | C[C@@H](N)Cc1c2c(c(COCC(=O)Oc3ccccc3)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
| 44572800 | 12529 | 3 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1 | 10.1021/jm801354e | ||
| CHEMBL1187194 | 12529 | 3 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1 | 10.1021/jm801354e | ||
| CHEMBL493128 | 12529 | 3 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 181 | 2 | 1 | 1 | 2.4 | NC[C@H]1C[C@@H]1c1cccc(Cl)c1 | 10.1021/jm801354e | ||
| 168283046 | 192280 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5185474 | 192280 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222039 | 192280 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 1 | 3 | 2 | 4.0 | Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 44412403 | 77430 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 222 | 1 | 1 | 2 | 2.1 | Clc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL209254 | 77430 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 222 | 1 | 1 | 2 | 2.1 | Clc1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| 135399866 | 71696 | 2 | None | -1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
| CHEMBL197653 | 71696 | 2 | None | -1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
| 44431705 | 144581 | 0 | None | -1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 2 | 2 | 4 | 1.7 | C[C@@H](N)[C@H](O)c1c2c(c(Br)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
| CHEMBL391196 | 144581 | 0 | None | -1 | 3 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 2 | 2 | 4 | 1.7 | C[C@@H](N)[C@H](O)c1c2c(c(Br)c3c1OCC3)OCC2 | 10.1016/j.bmcl.2007.03.073 | ||
| 18735313 | 203216 | 1 | None | 6 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76307 | 203216 | 1 | None | 6 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 162650400 | 183057 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4748110 | 183057 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802669 | 183057 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| 54581791 | 61120 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770383 | 61120 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 273 | 2 | 1 | 3 | 2.4 | Clc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| 162650400 | 183057 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4748110 | 183057 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802669 | 183057 | 0 | None | -22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 245 | 4 | 1 | 3 | 3.1 | CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1 | 10.1021/acs.jmedchem.6b01194 | ||
| 53324165 | 56492 | 0 | None | -9 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 231 | 2 | 2 | 5 | 0.8 | CCNc1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643674 | 56492 | 0 | None | -9 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 231 | 2 | 2 | 5 | 0.8 | CCNc1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
| 122442263 | 137816 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769454 | 137816 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771393 | 137816 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442263 | 137816 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769454 | 137816 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771393 | 137816 | 0 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 245 | 3 | 1 | 2 | 3.1 | COc1ccc(Cl)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 118733800 | 120127 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416052 | 120127 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546904 | 120127 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 5 | 1 | 2 | 3.4 | C=C(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 46230098 | 197639 | 0 | None | -30 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590580 | 197639 | 0 | None | -30 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| 134265705 | 163528 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cnc2c(c1)CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4209572 | 163528 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cnc2c(c1)CC[C@@H]1CNCCN21 | 10.1021/acsmedchemlett.8b00328 | ||
| 54584721 | 61114 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770377 | 61114 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 2 | 1 | 3 | 1.9 | Fc1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| 118733812 | 120117 | 0 | None | -4 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
| CHEMBL3416058 | 120117 | 0 | None | -4 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
| CHEMBL3546873 | 120117 | 0 | None | -4 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 257 | 6 | 1 | 2 | 3.1 | NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF | 10.1021/jm5019274 | ||
| 24849050 | 77882 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CC[C@H]3CNC[C@H]32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL210802 | 77882 | 2 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 258 | 1 | 1 | 4 | 1.3 | FC(F)(F)c1ccnc(N2CC[C@H]3CNC[C@H]32)n1 | 10.1016/j.bmcl.2006.03.007 | ||
| 10036629 | 64291 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1021/jm0709034 | ||
| CHEMBL181787 | 64291 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 225 | 1 | 1 | 2 | 2.6 | COc1cc2c(cc1Cl)C(C)CNCC2 | 10.1021/jm0709034 | ||
| 24773728 | 94406 | 0 | None | -31 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL253810 | 94406 | 0 | None | -31 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 209 | 1 | 1 | 1 | 3.0 | CC[C@@H]1CNCCc2ccc(Cl)cc21 | 10.1021/jm0709034 | ||
| 118733806 | 120130 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
| CHEMBL3416055 | 120130 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
| CHEMBL3546907 | 120130 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 243 | 5 | 1 | 2 | 2.8 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF | 10.1021/jm5019274 | ||
| 10064386 | 62972 | 4 | None | -32 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 317 | 1 | 1 | 2 | 2.5 | COc1cc2c(cc1I)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL179378 | 62972 | 4 | None | -32 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 317 | 1 | 1 | 2 | 2.5 | COc1cc2c(cc1I)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 44572802 | 12323 | 2 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL1186019 | 12323 | 2 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL445747 | 12323 | 2 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| 11983273 | 77627 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 1 | 1 | 2 | 2.5 | FC(F)(F)c1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| CHEMBL209714 | 77627 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 1 | 1 | 2 | 2.5 | FC(F)(F)c1cccc(N2CC[C@H]3CNC[C@H]32)c1 | 10.1016/j.bmcl.2006.03.007 | ||
| 118733796 | 120116 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416050 | 120116 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546872 | 120116 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.3 | C=C(F)COc1ccc(Cl)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 44572747 | 12581 | 2 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccccc1F | 10.1021/jm801354e | ||
| CHEMBL1187580 | 12581 | 2 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccccc1F | 10.1021/jm801354e | ||
| CHEMBL510308 | 12581 | 2 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccccc1F | 10.1021/jm801354e | ||
| 44573217 | 186746 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 302 | 3 | 2 | 3 | 2.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL493152 | 186746 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 302 | 3 | 2 | 3 | 2.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 44572174 | 12425 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 195 | 2 | 1 | 1 | 2.7 | Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| CHEMBL1186687 | 12425 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 195 | 2 | 1 | 1 | 2.7 | Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| CHEMBL474634 | 12425 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 195 | 2 | 1 | 1 | 2.7 | Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN | 10.1021/jm801354e | ||
| 44316017 | 203731 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80366 | 203731 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 11644842 | 88654 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337105 | 88654 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365394 | 88654 | 0 | None | -12 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 53321865 | 56539 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)nc1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643855 | 56539 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 336 | 3 | 1 | 7 | 1.1 | c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)nc1 | 10.1016/j.bmcl.2010.11.089 | ||
| 122442273 | 137815 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771152 | 137815 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771392 | 137815 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44316027 | 203801 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80862 | 203801 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| 162644827 | 183031 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4739937 | 183031 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802378 | 183031 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 162660358 | 183112 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4762722 | 183112 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803207 | 183112 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 122442273 | 137815 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771152 | 137815 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771392 | 137815 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 271 | 5 | 1 | 2 | 3.6 | C=CCOc1cc(Cl)c(Cl)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 162644827 | 183031 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4739937 | 183031 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4802378 | 183031 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 217 | 3 | 1 | 3 | 2.5 | COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 53317925 | 56543 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 1.2 | O=C1Cc2cc(OC3CN(c4c5c(nc6ccnn46)CCNCC5)C3)ccc2N1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643859 | 56543 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 1.2 | O=C1Cc2cc(OC3CN(c4c5c(nc6ccnn46)CCNCC5)C3)ccc2N1 | 10.1016/j.bmcl.2010.11.089 | ||
| 162660358 | 183112 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4762722 | 183112 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803207 | 183112 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 5 | 1 | 3 | 3.5 | C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 118733816 | 120134 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416060 | 120134 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546911 | 120134 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 1 | 2 | 2.7 | CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN | 10.1021/jm5019274 | ||
| 10624 | 69942 | 17 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 138543650 | 69942 | 17 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL194378 | 69942 | 17 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 46228422 | 198343 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL595553 | 198343 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 329 | 3 | 1 | 4 | 3.2 | Clc1ccccc1O[C@@H]1CCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 44572806 | 12530 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL1187195 | 12530 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL493129 | 12530 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 177 | 3 | 1 | 2 | 1.8 | COc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| 44573218 | 192445 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 320 | 3 | 2 | 3 | 2.3 | O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL522349 | 192445 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 320 | 3 | 2 | 3 | 2.3 | O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 1534 | 102553 | 51 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 9287 | 102553 | 51 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL30713 | 102553 | 51 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 1534 | 102553 | 51 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 9287 | 102553 | 51 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL30713 | 102553 | 51 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 174 | 2 | 2 | 1 | 2.1 | CC(N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 162659049 | 183101 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4761526 | 183101 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803123 | 183101 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 134265620 | 163843 | 0 | None | -6456 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.4 | c1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4213379 | 163843 | 0 | None | -6456 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.4 | c1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 | 10.1021/acsmedchemlett.8b00328 | ||
| 162659049 | 183101 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4761526 | 183101 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803123 | 183101 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 219 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 44572804 | 12499 | 1 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 | 10.1021/jm801354e | ||
| CHEMBL1187088 | 12499 | 1 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 | 10.1021/jm801354e | ||
| CHEMBL490064 | 12499 | 1 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 2.8 | NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 | 10.1021/jm801354e | ||
| 162669436 | 183153 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4789310 | 183153 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803705 | 183153 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 134265590 | 164195 | 0 | None | -2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cc2c(cn1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| CHEMBL4217846 | 164195 | 0 | None | -2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 189 | 0 | 1 | 3 | 0.8 | c1cc2c(cn1)N1CCNC[C@H]1CC2 | 10.1021/acsmedchemlett.8b00328 | ||
| 9991444 | 62288 | 0 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL178366 | 62288 | 0 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 24773900 | 122903 | 8 | None | -6 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL361742 | 122903 | 8 | None | -6 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 191 | 1 | 1 | 2 | 1.9 | COc1ccc2c(c1)C(C)CNCC2 | 10.1016/j.bmcl.2004.12.080 | ||
| 162669436 | 183153 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4789310 | 183153 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803705 | 183153 | 0 | None | -19 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.1 | CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2 | 10.1021/acs.jmedchem.6b01194 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm0709034 | ||
| 10105208 | 62155 | 0 | None | -83 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
| CHEMBL178124 | 62155 | 0 | None | -83 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | CC1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
| 11160564 | 62959 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1021/jm0709034 | ||
| CHEMBL179337 | 62959 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1021/jm0709034 | ||
| 23395431 | 94459 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
| CHEMBL254215 | 94459 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.0 | C[C@@H]1CNCCc2ccc(C(F)(F)F)cc21 | 10.1021/jm0709034 | ||
| 16115517 | 84400 | 0 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL223468 | 84400 | 0 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 44572178 | 12439 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1cccc([C@H]2C[C@@H]2CN)c1C | 10.1021/jm801354e | ||
| CHEMBL1186736 | 12439 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1cccc([C@H]2C[C@@H]2CN)c1C | 10.1021/jm801354e | ||
| CHEMBL475642 | 12439 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 175 | 2 | 1 | 1 | 2.4 | Cc1cccc([C@H]2C[C@@H]2CN)c1C | 10.1021/jm801354e | ||
| 135520431 | 72249 | 9 | None | -1 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL199385 | 72249 | 9 | None | -1 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 135414348 | 72449 | 2 | None | -1 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
| CHEMBL200104 | 72449 | 2 | None | -1 | 3 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
| 44573154 | 186605 | 0 | None | -17 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 350 | 4 | 2 | 3 | 2.5 | O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| CHEMBL492349 | 186605 | 0 | None | -17 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 350 | 4 | 2 | 3 | 2.5 | O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.02.071 | ||
| 45484662 | 196804 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1cccc(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL577691 | 196804 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1cccc(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 11231392 | 84456 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL223628 | 84456 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 71682217 | 90673 | 0 | None | -10 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397913 | 90673 | 0 | None | -10 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 44572170 | 12344 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl | 10.1021/jm801354e | ||
| CHEMBL1186164 | 12344 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl | 10.1021/jm801354e | ||
| CHEMBL452458 | 12344 | 1 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 215 | 2 | 1 | 1 | 3.1 | NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl | 10.1021/jm801354e | ||
| 118733810 | 120132 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
| CHEMBL3416057 | 120132 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
| CHEMBL3546909 | 120132 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 3.0 | NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F | 10.1021/jm5019274 | ||
| 162657367 | 183090 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4756903 | 183090 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803034 | 183090 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 45484700 | 195617 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 1.9 | O=c1cc2c(nn1Cc1ccc(C3CC3)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL568692 | 195617 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 1.9 | O=c1cc2c(nn1Cc1ccc(C3CC3)cc1)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 11160564 | 62959 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| CHEMBL179337 | 62959 | 4 | None | -40 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 229 | 0 | 1 | 1 | 3.2 | CC1CNCCc2c(Cl)cc(Cl)cc21 | 10.1016/j.bmcl.2004.12.080 | ||
| 53320653 | 56491 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 245 | 2 | 1 | 5 | 0.9 | CCN(C)c1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643673 | 56491 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 245 | 2 | 1 | 5 | 0.9 | CCN(C)c1c2c(nc3ccnn13)CCNCC2 | 10.1016/j.bmcl.2010.11.089 | ||
| 135399666 | 168187 | 4 | None | -3 | 7 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL437314 | 168187 | 4 | None | -3 | 7 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 12370465 | 12550 | 16 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NCC1CC1c1ccccc1 | 10.1021/jm801354e | ||
| CHEMBL1187354 | 12550 | 16 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NCC1CC1c1ccccc1 | 10.1021/jm801354e | ||
| CHEMBL500093 | 12550 | 16 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 147 | 2 | 1 | 1 | 1.7 | NCC1CC1c1ccccc1 | 10.1021/jm801354e | ||
| 162657367 | 183090 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4756903 | 183090 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| CHEMBL4803034 | 183090 | 0 | None | -32 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 231 | 4 | 1 | 3 | 2.9 | CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN | 10.1021/acs.jmedchem.6b01194 | ||
| 118733762 | 120119 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416033 | 120119 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546889 | 120119 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 225 | 4 | 1 | 2 | 2.8 | CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 11437171 | 83063 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL220207 | 83063 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 168286640 | 192316 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5194223 | 192316 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222252 | 192316 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 1 | 3 | 2 | 4.5 | Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 168294430 | 192395 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5205429 | 192395 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222746 | 192395 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 168294430 | 192395 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5205429 | 192395 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222746 | 192395 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 1 | 3 | 2 | 3.9 | Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21 | 10.1021/acsmedchemlett.1c00694 | ||
| 24826868 | 90637 | 1 | None | 1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397877 | 90637 | 1 | None | 1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 11695000 | 88628 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337490 | 88628 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365083 | 88628 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 122461343 | 137821 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769704 | 137821 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771398 | 137821 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 7153 | 97557 | 74 | None | 1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | 10.1016/j.bmc.2007.10.100 | ||
| CHEMBL272942 | 97557 | 74 | None | 1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | 10.1016/j.bmc.2007.10.100 | ||
| 154699445 | 176842 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
| CHEMBL4638592 | 176842 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 319 | 4 | 0 | 4 | 4.2 | CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1 | 10.1021/acs.jmedchem.0c00807 | ||
| 122461343 | 137821 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769704 | 137821 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771398 | 137821 | 0 | None | -9 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 5 | 1 | 2 | 3.1 | C=CCOc1ccc(F)c(Cl)c1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 11514226 | 88667 | 0 | None | -85 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337494 | 88667 | 0 | None | -85 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365470 | 88667 | 0 | None | -85 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 45484661 | 197193 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccccc1Cl)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL584210 | 197193 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 289 | 2 | 1 | 4 | 1.6 | O=c1cc2c(nn1Cc1ccccc1Cl)CCNCC2 | 10.1016/j.bmcl.2009.07.063 | ||
| 53325935 | 56488 | 0 | None | -17 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 243 | 1 | 1 | 5 | 0.6 | c1cc2nc3c(c(N4CCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643670 | 56488 | 0 | None | -17 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 243 | 1 | 1 | 5 | 0.6 | c1cc2nc3c(c(N4CCC4)n2n1)CCNCC3 | 10.1016/j.bmcl.2010.11.089 | ||
| 53324630 | 56494 | 0 | None | -18 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
| CHEMBL1643676 | 56494 | 0 | None | -18 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 353 | 3 | 1 | 6 | 1.8 | Fc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 | 10.1016/j.bmcl.2010.11.089 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2010.11.120 | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm5019274 | ||
| 122442275 | 137820 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770862 | 137820 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771397 | 137820 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
| 122442275 | 137820 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3770862 | 137820 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771397 | 137820 | 0 | None | -11 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 261 | 5 | 1 | 2 | 2.9 | NCC1CC1c1c(OCCF)ccc(F)c1Cl | 10.1021/acs.jmedchem.5b01153 | ||
| 168288743 | 192335 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5192627 | 192335 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222395 | 192335 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 4543677 | 192178 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5179287 | 192178 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221372 | 192178 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 4543677 | 192178 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5179287 | 192178 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221372 | 192178 | 1 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 1 | 2 | 1 | 4.7 | Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 168288743 | 192335 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5192627 | 192335 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222395 | 192335 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 326 | 3 | 2 | 3 | 3.6 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 118733774 | 120125 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3416039 | 120125 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| CHEMBL3546902 | 120125 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 239 | 4 | 1 | 2 | 3.2 | CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN | 10.1021/jm5019274 | ||
| 46228430 | 198046 | 0 | None | -8 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL593545 | 198046 | 0 | None | -8 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 343 | 3 | 1 | 4 | 3.6 | Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 44138039 | 178699 | 8 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473185 | 178699 | 8 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565847 | 179977 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475407 | 179977 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565831 | 179845 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475245 | 179845 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565608 | 178679 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472990 | 178679 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 188 | 3327 | 73 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
| 196968 | 3327 | 73 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473186 | 3327 | 73 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
| 44565850 | 179143 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474408 | 179143 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 4366334 | 79984 | 8 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 379 | 3 | 0 | 4 | 4.6 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL214554 | 79984 | 8 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 379 | 3 | 0 | 4 | 4.6 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565638 | 189027 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL514934 | 189027 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 3743171 | 79709 | 13 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL213329 | 79709 | 13 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 145976085 | 163102 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4204576 | 163102 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 145972374 | 164111 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4216860 | 164111 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
| 44565828 | 178609 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472416 | 178609 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
| 127035063 | 135950 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
| CHEMBL3736149 | 135950 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
| 127037093 | 135972 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3736252 | 135972 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 118464427 | 137793 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3771331 | 137793 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 752565 | 137748 | 7 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 273 | 2 | 3 | 6 | 1.7 | COc1cccc(NC2=NC(N)=NC3(CCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770770 | 137748 | 7 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 273 | 2 | 3 | 6 | 1.7 | COc1cccc(NC2=NC(N)=NC3(CCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 44565849 | 178705 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 4.9 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473235 | 178705 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 4.9 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565805 | 189032 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL514967 | 189032 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44416247 | 140914 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 4.9 | CCCN1CCC2(CC1)Oc1ccc(C)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL384255 | 140914 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 4.9 | CCCN1CCC2(CC1)Oc1ccc(C)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44156863 | 7980 | 0 | None | -21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 345 | 3 | 0 | 6 | 2.8 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| CHEMBL1091206 | 7980 | 0 | None | -21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 345 | 3 | 0 | 6 | 2.8 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| 44565827 | 178608 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472415 | 178608 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565636 | 178678 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472986 | 178678 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 16812804 | 170544 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL445809 | 170544 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565606 | 178651 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472789 | 178651 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565806 | 179518 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474839 | 179518 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 168295984 | 191612 | 0 | None | -8 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5204813 | 191612 | 0 | None | -8 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 127034715 | 135858 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735261 | 135858 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 127035064 | 135935 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| CHEMBL3735911 | 135935 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| 127034730 | 135903 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735643 | 135903 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 46830134 | 8118 | 0 | None | -37 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| CHEMBL1092241 | 8118 | 0 | None | -37 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| 3781561 | 138056 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Br)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL377562 | 138056 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Br)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
| 10449757 | 3426 | 26 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
| 190 | 3426 | 26 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL2110371 | 3426 | 26 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
| 71528206 | 86529 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL2323581 | 86529 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 3830738 | 141102 | 7 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 395 | 2 | 0 | 4 | 5.1 | CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL385346 | 141102 | 7 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 395 | 2 | 0 | 4 | 5.1 | CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565831 | 179845 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475245 | 179845 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 4 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 145988313 | 166671 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| CHEMBL4292326 | 166671 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| 4203621 | 138446 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 397 | 2 | 0 | 5 | 4.3 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL378541 | 138446 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 397 | 2 | 0 | 5 | 4.3 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
| 3898525 | 139036 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 3.8 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL379734 | 139036 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 3.8 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565635 | 178677 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472985 | 178677 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565641 | 178728 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 2 | 4.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473391 | 178728 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 3 | 1 | 2 | 4.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565829 | 178629 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 0 | 3 | 5.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3o2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472589 | 178629 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 0 | 3 | 5.5 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3o2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 53327611 | 69396 | 0 | None | -154 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 401 | 2 | 1 | 5 | 3.6 | O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCCOC1)NCC3 | 10.1016/j.bmcl.2011.11.050 | ||
| CHEMBL1935601 | 69396 | 0 | None | -154 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 401 | 2 | 1 | 5 | 3.6 | O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCCOC1)NCC3 | 10.1016/j.bmcl.2011.11.050 | ||
| 44416290 | 140840 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 424 | 4 | 0 | 5 | 4.7 | c1ccc(CCN2CCC3(CC2)Oc2ccccc2C2CC(c4ccncc4)=NN23)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL383860 | 140840 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 424 | 4 | 0 | 5 | 4.7 | c1ccc(CCN2CCC3(CC2)Oc2ccccc2C2CC(c4ccncc4)=NN23)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565824 | 178703 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473214 | 178703 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44155109 | 8075 | 3 | None | -21 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| CHEMBL1091919 | 8075 | 3 | None | -21 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 373 | 3 | 0 | 6 | 3.5 | CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| 732268 | 137755 | 28 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL3770837 | 137755 | 28 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 44565635 | 178677 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472985 | 178677 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 3716424 | 80623 | 6 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC(F)F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215380 | 80623 | 6 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC(F)F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 3826158 | 79502 | 11 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 469 | 4 | 0 | 5 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL212506 | 79502 | 11 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 469 | 4 | 0 | 5 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(OC)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 118464428 | 137720 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 343 | 4 | 3 | 7 | 2.6 | CCCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770512 | 137720 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 343 | 4 | 3 | 7 | 2.6 | CCCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 145988313 | 166671 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| CHEMBL4292326 | 166671 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| 136020618 | 163351 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4207302 | 163351 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 3736302 | 138376 | 7 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 2 | 0 | 4 | 5.2 | CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL378357 | 138376 | 7 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 2 | 0 | 4 | 5.2 | CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 188 | 3327 | 73 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
| 196968 | 3327 | 73 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473186 | 3327 | 73 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1016/j.bmcl.2009.02.126 | ||
| 145979048 | 166094 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 3 | 3 | 7 | 3.0 | CCOC(=O)c1cc(Br)cc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4281546 | 166094 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 3 | 3 | 7 | 3.0 | CCOC(=O)c1cc(Br)cc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
| 44565846 | 179976 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475406 | 179976 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 16812804 | 170544 | 9 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL445809 | 170544 | 9 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 381 | 3 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565830 | 179132 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474404 | 179132 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565605 | 189091 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL515422 | 189091 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44416309 | 140897 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.1 | CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL384160 | 140897 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.1 | CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 145993660 | 166804 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 413 | 1 | 3 | 5 | 3.6 | NC1=NC2(CCCCC2)NC(Nc2cc(Br)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4294723 | 166804 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 413 | 1 | 3 | 5 | 3.6 | NC1=NC2(CCCCC2)NC(Nc2cc(Br)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 44565637 | 178700 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 3.9 | O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473187 | 178700 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 2 | 3 | 3.9 | O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 71528204 | 86527 | 0 | None | -15 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL2323579 | 86527 | 0 | None | -15 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 118464429 | 166553 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4290245 | 166553 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 26694436 | 162350 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 354 | 5 | 2 | 3 | 2.9 | CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
| CHEMBL4173963 | 162350 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 354 | 5 | 2 | 3 | 2.9 | CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
| 44565807 | 179520 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.4 | O=C(c1ccc(N2CCOCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474840 | 179520 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.4 | O=C(c1ccc(N2CCOCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44416259 | 137662 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 0 | 4 | 4.7 | CCCN1CCC2(CC1)Oc1ccc(F)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL376978 | 137662 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 0 | 4 | 4.7 | CCCN1CCC2(CC1)Oc1ccc(F)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 3649661 | 137678 | 6 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770106 | 137678 | 6 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 11502243 | 188906 | 39 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL513994 | 188906 | 39 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
| 11949710 | 198210 | 0 | None | -50 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL594717 | 198210 | 0 | None | -50 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 5093797 | 80646 | 6 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215461 | 80646 | 6 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Cl)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 895660 | 32162 | 8 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 287 | 2 | 3 | 6 | 2.0 | COc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL1411080 | 32162 | 8 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 287 | 2 | 3 | 6 | 2.0 | COc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 118464425 | 137768 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770981 | 137768 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 5113614 | 79636 | 7 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 457 | 3 | 0 | 4 | 5.3 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL213005 | 79636 | 7 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 457 | 3 | 0 | 4 | 5.3 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565808 | 180319 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475778 | 180319 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| 11502243 | 188906 | 39 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL513994 | 188906 | 39 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmcl.2009.02.126 | ||
| 11957541 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 1229 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 147 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 170617 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| CHEMBL6616 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 3723094 | 79539 | 10 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 1 | 0 | 4 | 4.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL212656 | 79539 | 10 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 1 | 0 | 4 | 4.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565608 | 178679 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472990 | 178679 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 3.8 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565846 | 179976 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475406 | 179976 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 4 | 1 | 2 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 168284710 | 190987 | 0 | None | -18 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5195241 | 190987 | 0 | None | -18 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 136020617 | 57010 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651095 | 57010 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 44565805 | 189032 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL514967 | 189032 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.6 | O=C(c1ccc(C2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44416260 | 79566 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 3 | 0 | 4 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Cl)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL212755 | 79566 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 3 | 0 | 4 | 5.2 | CCCN1CCC2(CC1)Oc1ccc(Cl)cc1C1CC(c3ccc(F)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565847 | 179977 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475407 | 179977 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 4 | 1 | 3 | 3.6 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565808 | 180319 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL475778 | 180319 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| 11248240 | 2616 | 2 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.6b01183 | ||
| 5601 | 2616 | 2 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL175543 | 2616 | 2 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.6b01183 | ||
| 752521 | 197050 | 7 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL582877 | 197050 | 7 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
| 118464420 | 137704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770342 | 137704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
| 44565634 | 178652 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472791 | 178652 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565850 | 179143 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474408 | 179143 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 349 | 3 | 1 | 2 | 4.2 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 118464420 | 137704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL3770342 | 137704 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 118464426 | 137705 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 327 | 4 | 3 | 6 | 3.0 | CCCC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770351 | 137705 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 327 | 4 | 3 | 6 | 3.0 | CCCC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 3751272 | 80169 | 13 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 443 | 3 | 0 | 4 | 5.9 | Clc1ccc(C2=NN3C(C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215024 | 80169 | 13 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 443 | 3 | 0 | 4 | 5.9 | Clc1ccc(C2=NN3C(C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
| 71528205 | 86528 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL2323580 | 86528 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 145963830 | 163560 | 0 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4209942 | 163560 | 0 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
| 127035065 | 135964 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
| CHEMBL3736207 | 135964 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
| 44565606 | 178651 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472789 | 178651 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 5.3 | COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 73389570 | 161441 | 33 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 378 | 5 | 2 | 4 | 2.5 | Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F | 10.1021/acs.jmedchem.8b00654 | ||
| CHEMBL4159471 | 161441 | 33 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 378 | 5 | 2 | 4 | 2.5 | Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F | 10.1021/acs.jmedchem.8b00654 | ||
| 2884131 | 166344 | 7 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4286420 | 166344 | 7 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 44155107 | 7981 | 3 | None | -60 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 3 | 0 | 6 | 3.2 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| CHEMBL1091207 | 7981 | 3 | None | -60 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 3 | 0 | 6 | 3.2 | CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1016/j.bmcl.2010.02.046 | ||
| 4297073 | 80875 | 7 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 348 | 2 | 0 | 5 | 3.4 | CCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215883 | 80875 | 7 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 348 | 2 | 0 | 5 | 3.4 | CCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 46933845 | 15971 | 0 | None | -18 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224034 | 15971 | 0 | None | -18 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 135753059 | 190114 | 5 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 4 | 2 | 5 | 2.7 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)c(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| CHEMBL5182403 | 190114 | 5 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 4 | 2 | 5 | 2.7 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)c(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| 135753074 | 190504 | 7 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| CHEMBL5187824 | 190504 | 7 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| 135753056 | 190571 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| CHEMBL5188949 | 190571 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| 156208582 | 191425 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 2.6 | CCc1cccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)c1 | 10.1021/acs.jmedchem.1c01759 | ||
| CHEMBL5202029 | 191425 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 2.6 | CCc1cccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)c1 | 10.1021/acs.jmedchem.1c01759 | ||
| 3765560 | 141001 | 9 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL384745 | 141001 | 9 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 4518239 | 80630 | 6 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3OC(F)F)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215404 | 80630 | 6 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 477 | 3 | 0 | 5 | 5.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3OC(F)F)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 879244 | 27973 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL1373650 | 27973 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
| 4322819 | 79998 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 2 | 0 | 5 | 3.8 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL214594 | 79998 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 381 | 2 | 0 | 5 | 3.8 | COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)CC21 | 10.1016/j.bmcl.2006.06.068 | ||
| 118464421 | 166728 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4293638 | 166728 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 44247568 | 81748 | 51 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
| CHEMBL2170062 | 81748 | 51 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
| 44565806 | 179518 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474839 | 179518 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 388 | 3 | 1 | 3 | 4.6 | O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 2267399 | 137800 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1ccc(NC2=NC(N)=NC3(CCCCC3)N2)cc1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3771373 | 137800 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1ccc(NC2=NC(N)=NC3(CCCCC3)N2)cc1 | 10.1021/acs.jmedchem.5b01631 | ||
| 136928971 | 137688 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 343 | 3 | 3 | 7 | 2.5 | CCOC(=O)c1cccc(NC2=NC(NC)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770185 | 137688 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 343 | 3 | 3 | 7 | 2.5 | CCOC(=O)c1cccc(NC2=NC(NC)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 5128094 | 79432 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 333 | 1 | 0 | 4 | 3.7 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL212228 | 79432 | 18 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 333 | 1 | 0 | 4 | 3.7 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 5167627 | 79637 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 5.1 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL213006 | 79637 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 5.1 | CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44416351 | 79710 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 279 | 1 | 0 | 4 | 3.4 | CC1(C)Oc2ccccc2C2CC(c3ccncc3)=NN21 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL213332 | 79710 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 279 | 1 | 0 | 4 | 3.4 | CC1(C)Oc2ccccc2C2CC(c3ccncc3)=NN21 | 10.1016/j.bmcl.2006.06.068 | ||
| 3802375 | 79892 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 3 | 0 | 4 | 5.5 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(C)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL214184 | 79892 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 3 | 0 | 4 | 5.5 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(C)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 4657811 | 80092 | 8 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 1 | 0 | 4 | 5.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc4ccccc4c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL214802 | 80092 | 8 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 1 | 0 | 4 | 5.6 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc4ccccc4c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 5165122 | 80624 | 20 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215386 | 80624 | 20 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1 | 10.1016/j.bmcl.2006.06.068 | ||
| 3757038 | 81047 | 11 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 401 | 1 | 0 | 5 | 4.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccco3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL215991 | 81047 | 11 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 401 | 1 | 0 | 5 | 4.0 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccco3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 3773677 | 138443 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL378540 | 138443 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 2 | 0 | 5 | 4.4 | COc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1 | 10.1016/j.bmcl.2006.06.068 | ||
| 3410378 | 140918 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 417 | 1 | 0 | 5 | 4.5 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3cccs3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL384270 | 140918 | 7 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 417 | 1 | 0 | 5 | 4.5 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3cccs3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 4679720 | 165413 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 471 | 3 | 0 | 6 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL425260 | 165413 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 471 | 3 | 0 | 6 | 4.4 | COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC32CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2006.06.068 | ||
| 4148445 | 137760 | 9 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2ccc(Cl)cc2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770873 | 137760 | 9 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2ccc(Cl)cc2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
| 3391669 | 141297 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 479 | 1 | 0 | 4 | 5.7 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)c(Cl)c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL386459 | 141297 | 7 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 479 | 1 | 0 | 4 | 5.7 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Cl)c(Cl)c3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565607 | 188964 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL514453 | 188964 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565848 | 178704 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473234 | 178704 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565826 | 178607 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.2 | O=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472414 | 178607 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 3 | 1 | 2 | 5.2 | O=C(C1CCC(c2ccccc2)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44476436 | 81921 | 5 | None | -7413 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 3 | 1 | 7 | 1.6 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CN(C)CC3 | 10.1016/j.bmcl.2012.05.036 | ||
| CHEMBL2172186 | 81921 | 5 | None | -7413 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 3 | 1 | 7 | 1.6 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CN(C)CC3 | 10.1016/j.bmcl.2012.05.036 | ||
| 162674022 | 182629 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4796102 | 182629 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| 127037059 | 136001 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3736516 | 136001 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 10449757 | 3426 | 26 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
| 190 | 3426 | 26 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL2110371 | 3426 | 26 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565639 | 178727 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473387 | 178727 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565640 | 188905 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL513993 | 188905 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 3 | 1 | 3 | 4.2 | O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44138039 | 178699 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473185 | 178699 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 363 | 4 | 1 | 2 | 4.3 | O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565605 | 189091 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL515422 | 189091 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 383 | 3 | 1 | 4 | 4.0 | O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565639 | 178727 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473387 | 178727 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 367 | 4 | 1 | 2 | 5.6 | c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 | 10.1016/j.bmcl.2009.02.126 | ||
| 145989393 | 166659 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 1 | 3 | 5 | 2.9 | NC1=NC2(CCCCC2)NC(Nc2cc(F)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4292168 | 166659 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 1 | 3 | 5 | 2.9 | NC1=NC2(CCCCC2)NC(Nc2cc(F)cc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 3473601 | 139586 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL380167 | 139586 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 367 | 1 | 0 | 4 | 4.3 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565830 | 179132 | 2 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL474404 | 179132 | 2 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 331 | 3 | 1 | 2 | 4.1 | O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 57495353 | 124507 | 33 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 450 | 5 | 1 | 7 | 2.9 | CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 | 10.1021/acsmedchemlett.7b00293 | ||
| CHEMBL3643413 | 124507 | 33 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 450 | 5 | 1 | 7 | 2.9 | CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 | 10.1021/acsmedchemlett.7b00293 | ||
| 3400827 | 79488 | 10 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 517 | 3 | 0 | 4 | 6.0 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL212457 | 79488 | 10 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 517 | 3 | 0 | 4 | 6.0 | CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(Br)cc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 127035062 | 135915 | 0 | None | 6 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735756 | 135915 | 0 | None | 6 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 127035066 | 135885 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| CHEMBL3735434 | 135885 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| 44565828 | 178609 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL472416 | 178609 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 3 | 0 | 3 | 5.3 | Cn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc21 | 10.1016/j.bmcl.2009.02.126 | ||
| 145964159 | 163766 | 0 | None | 8 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4212435 | 163766 | 0 | None | 8 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 44565638 | 189027 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL514934 | 189027 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 417 | 4 | 1 | 3 | 4.8 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 3499360 | 140976 | 7 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL384579 | 140976 | 7 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 1 | 0 | 4 | 5.1 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3Cl)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 104697662 | 144860 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3914002 | 144860 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
| 11536299 | 182694 | 6 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
| CHEMBL479683 | 182694 | 6 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
| 109052212 | 161985 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 2 | 2 | 4.1 | O=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCCCC2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
| CHEMBL4168125 | 161985 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 2 | 2 | 4.1 | O=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCCCC2)c1 | 10.1021/acs.jmedchem.8b00654 | ||
| 44565607 | 188964 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL514453 | 188964 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 4.4 | CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 3442850 | 168983 | 20 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL443570 | 168983 | 20 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 411 | 1 | 0 | 4 | 4.4 | CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 4895014 | 79575 | 7 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 334 | 1 | 0 | 5 | 3.0 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| CHEMBL212780 | 79575 | 7 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 334 | 1 | 0 | 5 | 3.0 | CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12 | 10.1016/j.bmcl.2006.06.068 | ||
| 44565824 | 178703 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473214 | 178703 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 465 | 4 | 1 | 3 | 6.1 | O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 44565848 | 178704 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| CHEMBL473234 | 178704 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 3.7 | O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.126 | ||
| 12611598 | 60101 | 3 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175205 | 60101 | 3 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
| 221 | 3422 | 63 | None | - | 3 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 10.1021/jm00006a001 | ||
| 3277600 | 3422 | 63 | None | - | 3 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 10.1021/jm00006a001 | ||
| CHEMBL323356 | 3422 | 63 | None | - | 3 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 10.1021/jm00006a001 | ||
| 44385952 | 61864 | 5 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
| CHEMBL177800 | 61864 | 5 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
| 135398737 | 942 | 89 | None | - | 37 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
| 38 | 942 | 89 | None | - | 37 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
| 722 | 942 | 89 | None | - | 37 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
| CHEMBL42 | 942 | 89 | None | - | 37 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
| DB00363 | 942 | 89 | None | - | 37 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0009890 | ||
| 10022745 | 119451 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 381 | 5 | 1 | 4 | 3.5 | CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2 | 10.1021/jm011014y | ||
| CHEMBL349832 | 119451 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 381 | 5 | 1 | 4 | 3.5 | CCc1c(C)[nH]c2c1C(=O)CC(CN1CCN(c3ccccc3OC)CC1)C2 | 10.1021/jm011014y | ||
| 44327167 | 9273 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| CHEMBL111393 | 9273 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| CHEMBL544319 | 9273 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| 12611606 | 60044 | 7 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
| CHEMBL174723 | 60044 | 7 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
| 12611609 | 60100 | 3 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175204 | 60100 | 3 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
| 12611617 | 60021 | 3 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| CHEMBL174563 | 60021 | 3 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| 12611598 | 60101 | 3 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175205 | 60101 | 3 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(O)c(CC(C)N)c1 | 10.1021/jm00183a006 | ||
| 10356829 | 59364 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 289 | 2 | 2 | 4 | 4.3 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)sn1 | 10.1021/jm00006a001 | ||
| CHEMBL172269 | 59364 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 289 | 2 | 2 | 4 | 4.3 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)sn1 | 10.1021/jm00006a001 | ||
| 10693836 | 9232 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 428 | 8 | 0 | 5 | 4.3 | O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL111189 | 9232 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 428 | 8 | 0 | 5 | 4.3 | O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL545488 | 9232 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 428 | 8 | 0 | 5 | 4.3 | O=C(CCCN1CCN(CCC2CCc3sccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 10715378 | 15328 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 389 | 4 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1 | 10.1021/jm011014y | ||
| CHEMBL121744 | 15328 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 389 | 4 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(CC2CC(=O)c3c([nH]c4ccccc34)C2)CC1 | 10.1021/jm011014y | ||
| 9979654 | 206172 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 422 | 8 | 0 | 4 | 4.2 | O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL96781 | 206172 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 422 | 8 | 0 | 4 | 4.2 | O=C(CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 12611613 | 60123 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175328 | 60123 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
| 10473483 | 8548 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 356 | 4 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1 | 10.1021/jm011014y | ||
| CHEMBL109528 | 8548 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 356 | 4 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1 | 10.1021/jm011014y | ||
| CHEMBL544318 | 8548 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 356 | 4 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1 | 10.1021/jm011014y | ||
| 135398737 | 942 | 89 | None | - | 37 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
| 38 | 942 | 89 | None | - | 37 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
| 722 | 942 | 89 | None | - | 37 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
| CHEMBL42 | 942 | 89 | None | - | 37 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
| DB00363 | 942 | 89 | None | - | 37 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm011014y | ||
| 10710246 | 120601 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| CHEMBL357517 | 120601 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| 10338282 | 34449 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| CHEMBL143022 | 34449 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| 10338282 | 34449 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| CHEMBL143022 | 34449 | 1 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.8 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| 11760018 | 53069 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 354 | 5 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL160019 | 53069 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 354 | 5 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
| 44326982 | 8556 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 351 | 4 | 0 | 3 | 4.1 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
| CHEMBL109548 | 8556 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 351 | 4 | 0 | 3 | 4.1 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
| CHEMBL545727 | 8556 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 351 | 4 | 0 | 3 | 4.1 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
| 10090486 | 52976 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 369 | 5 | 0 | 4 | 4.1 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL159929 | 52976 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 369 | 5 | 0 | 4 | 4.1 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3occc3C2=O)CC1 | 10.1021/jm011014y | ||
| 10090424 | 34459 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| CHEMBL143027 | 34459 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| 10090424 | 34459 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| CHEMBL143027 | 34459 | 1 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 368 | 3 | 0 | 5 | 4.2 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| 12611604 | 60111 | 3 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)c(O)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175272 | 60111 | 3 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)c(O)c1 | 10.1021/jm00183a006 | ||
| 10645469 | 110055 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 414 | 7 | 0 | 5 | 3.9 | O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL325253 | 110055 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 414 | 7 | 0 | 5 | 3.9 | O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL542428 | 110055 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 414 | 7 | 0 | 5 | 3.9 | O=C(CCCN1CCN(CC2CC(=O)c3ccsc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 12611615 | 60001 | 1 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| CHEMBL174449 | 60001 | 1 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| 12611617 | 60021 | 3 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| CHEMBL174563 | 60021 | 3 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 195 | 4 | 1 | 3 | 1.5 | COc1ccc(O)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| 10024430 | 205869 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 408 | 8 | 0 | 4 | 3.9 | O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL95098 | 205869 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 408 | 8 | 0 | 4 | 3.9 | O=C(CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 12611613 | 60123 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175328 | 60123 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1ccc(O)c(CC(C)N(C)C)c1 | 10.1021/jm00183a006 | ||
| 44327153 | 108710 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL321682 | 108710 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL558817 | 108710 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccsc3C2=O)CC1 | 10.1021/jm011014y | ||
| 10804995 | 35338 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| CHEMBL143937 | 35338 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm0009890 | ||
| 10804995 | 35338 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| CHEMBL143937 | 35338 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.2 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| 197139 | 24853 | 20 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
| CHEMBL1347 | 24853 | 20 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
| 12611606 | 60044 | 7 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
| CHEMBL174723 | 60044 | 7 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1ccc(CC(C)N)cc1O | 10.1021/jm00183a006 | ||
| 12611596 | 59970 | 6 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
| CHEMBL174380 | 59970 | 6 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
| 12611615 | 60001 | 1 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| CHEMBL174449 | 60001 | 1 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 285 | 7 | 0 | 3 | 3.4 | COc1ccc(OCc2ccccc2)c(CCN(C)C)c1 | 10.1021/jm00183a006 | ||
| 9951008 | 204661 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 365 | 5 | 0 | 3 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL87717 | 204661 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 365 | 5 | 0 | 3 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 126769 | 204313 | 35 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00006a001 | ||
| CHEMBL536255 | 204313 | 35 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00006a001 | ||
| CHEMBL85194 | 204313 | 35 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00006a001 | ||
| 9930475 | 204557 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 393 | 5 | 0 | 3 | 4.9 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL87026 | 204557 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 393 | 5 | 0 | 3 | 4.9 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 10597019 | 34029 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
| CHEMBL142668 | 34029 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
| 10597019 | 34029 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL142668 | 34029 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 398 | 7 | 0 | 5 | 3.4 | O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 10249506 | 8702 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL109673 | 8702 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL544091 | 8702 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 11141324 | 52798 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 2.6 | O=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
| CHEMBL159771 | 52798 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 2.6 | O=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21 | 10.1021/jm011014y | ||
| 9866660 | 113910 | 2 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 417 | 3 | 1 | 4 | 5.1 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
| CHEMBL333174 | 113910 | 2 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 417 | 3 | 1 | 4 | 5.1 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
| 10061837 | 120215 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 273 | 2 | 2 | 4 | 3.8 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)on1 | 10.1021/jm00006a001 | ||
| CHEMBL354951 | 120215 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 273 | 2 | 2 | 4 | 3.8 | Cc1cc(NC(=O)Nc2ccc3sccc3c2)on1 | 10.1021/jm00006a001 | ||
| 10022781 | 56744 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.6 | O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
| CHEMBL164471 | 56744 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.6 | O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
| 44326751 | 108115 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| CHEMBL320572 | 108115 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| CHEMBL539544 | 108115 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| 10693017 | 33600 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
| CHEMBL142316 | 33600 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm0009890 | ||
| 10367486 | 9189 | 1 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 398 | 4 | 0 | 5 | 5.0 | O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
| CHEMBL110948 | 9189 | 1 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 398 | 4 | 0 | 5 | 5.0 | O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
| CHEMBL543613 | 9189 | 1 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 398 | 4 | 0 | 5 | 5.0 | O=C1c2ccsc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1 | 10.1021/jm011014y | ||
| 10693017 | 33600 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL142316 | 33600 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 412 | 8 | 0 | 5 | 3.8 | O=C(CCCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 10069784 | 14799 | 1 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 404 | 4 | 1 | 3 | 4.6 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
| CHEMBL120903 | 14799 | 1 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 404 | 4 | 1 | 3 | 4.6 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21 | 10.1021/jm011014y | ||
| 15021876 | 102922 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21 | 10.1021/jm011014y | ||
| CHEMBL308480 | 102922 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 4.2 | O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21 | 10.1021/jm011014y | ||
| 10809188 | 9170 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 370 | 5 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL110847 | 9170 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 370 | 5 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL540822 | 9170 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 370 | 5 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 10497359 | 121210 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm0009890 | ||
| CHEMBL358895 | 121210 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm0009890 | ||
| 10497359 | 121210 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm011014y | ||
| CHEMBL358895 | 121210 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1 | 10.1021/jm011014y | ||
| 197139 | 24853 | 20 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
| CHEMBL1347 | 24853 | 20 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 181 | 3 | 2 | 3 | 1.3 | COc1cc(CC(C)N)ccc1O | 10.1021/jm00183a006 | ||
| 11023903 | 52460 | 0 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 2.7 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| CHEMBL159466 | 52460 | 0 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 2.7 | O=C1CC(CN2CCN(c3ccccn3)CC2)Cc2sccc21 | 10.1021/jm011014y | ||
| 10015954 | 164676 | 2 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 270 | 2 | 2 | 4 | 3.1 | Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)on1 | 10.1021/jm00006a001 | ||
| CHEMBL422923 | 164676 | 2 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 270 | 2 | 2 | 4 | 3.1 | Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)on1 | 10.1021/jm00006a001 | ||
| 9886130 | 204694 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 379 | 5 | 0 | 3 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL87943 | 204694 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 379 | 5 | 0 | 3 | 4.6 | O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 10622347 | 54104 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 426 | 8 | 0 | 4 | 4.0 | O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| CHEMBL160907 | 54104 | 0 | None | - | 0 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 426 | 8 | 0 | 4 | 4.0 | O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1 | 10.1021/jm011014y | ||
| 10044334 | 205382 | 13 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 364 | 5 | 0 | 4 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL92145 | 205382 | 13 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 364 | 5 | 0 | 4 | 3.7 | COc1ccccc1N1CCN(CCC2CCc3ccccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 12611596 | 59970 | 6 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
| CHEMBL174380 | 59970 | 6 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(CC(C)N)c(O)cc1C | 10.1021/jm00183a006 | ||
| 44385952 | 61864 | 5 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
| CHEMBL177800 | 61864 | 5 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 195 | 3 | 2 | 3 | 1.6 | COc1cc(C)c(O)cc1CC(C)N | 10.1021/jm00183a006 | ||
| 9951964 | 204625 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 383 | 5 | 0 | 3 | 4.3 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL87458 | 204625 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 383 | 5 | 0 | 3 | 4.3 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 12611609 | 60100 | 3 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
| CHEMBL175204 | 60100 | 3 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(O)c(CCN)c1 | 10.1021/jm00183a006 | ||
| 2148 | 3815 | 109 | None | - | 4 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
| 2150 | 3815 | 109 | None | - | 4 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
| 2784 | 3815 | 109 | None | - | 4 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
| 5610 | 3815 | 109 | None | - | 4 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
| CHEMBL11608 | 3815 | 109 | None | - | 4 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
| DB08841 | 3815 | 109 | None | - | 4 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | 10.1021/jm00183a006 | ||
| 10022123 | 53020 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 5 | 0 | 4 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL159969 | 53020 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 5 | 0 | 4 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| CHEMBL92673 | 53020 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 5 | 0 | 4 | 4.2 | O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1 | 10.1021/jm011014y | ||
| 10544858 | 169450 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 336 | 4 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1 | 10.1021/jm011014y | ||
| CHEMBL444269 | 169450 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 336 | 4 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1 | 10.1021/jm011014y | ||
| CHEMBL542181 | 169450 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 336 | 4 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CC2CC(=O)c3ccccc32)CC1 | 10.1021/jm011014y | ||
| 11121409 | 56093 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 341 | 4 | 0 | 5 | 3.1 | O=C1c2ccsc2CCC1CCN1CCN(c2ccccn2)CC1 | 10.1021/jm011014y | ||
| CHEMBL163180 | 56093 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 341 | 4 | 0 | 5 | 3.1 | O=C1c2ccsc2CCC1CCN1CCN(c2ccccn2)CC1 | 10.1021/jm011014y | ||
| 10710246 | 120601 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| CHEMBL357517 | 120601 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 312 | 3 | 0 | 6 | 1.6 | O=C1CC(CN2CCN(c3ncccn3)CC2)Cc2occc21 | 10.1021/jm011014y | ||
| 10017554 | 4260 | 25 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
| CHEMBL101008 | 4260 | 25 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
| 10017554 | 4260 | 25 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
| CHEMBL101008 | 4260 | 25 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm960199j | ||
| 134143752 | 150104 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3955519 | 150104 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 49836525 | 18604 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1278202 | 18604 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 49836524 | 18603 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 361 | 2 | 1 | 2 | 4.0 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1278201 | 18603 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 361 | 2 | 1 | 2 | 4.0 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 46933091 | 15572 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222695 | 15572 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| 49836526 | 18446 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 375 | 3 | 1 | 2 | 4.4 | O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1276859 | 18446 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 375 | 3 | 1 | 2 | 4.4 | O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 49836411 | 18523 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 389 | 3 | 1 | 2 | 4.8 | O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| CHEMBL1277585 | 18523 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 389 | 3 | 1 | 2 | 4.8 | O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| 44516817 | 57343 | 4 | None | -1023 | 2 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
| CHEMBL1668584 | 57343 | 4 | None | -1023 | 2 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
| 185 | 3931 | 54 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
| 5311271 | 3931 | 54 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
| CHEMBL74355 | 3931 | 54 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
| DB16351 | 3931 | 54 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10.1021/jm100856p | ||
| 49836412 | 18522 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1277584 | 18522 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 49836294 | 18577 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 387 | 2 | 0 | 3 | 4.4 | COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1278020 | 18577 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 387 | 2 | 0 | 3 | 4.4 | COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 49836522 | 18592 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 3.0 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 | 10.1021/jm100856p | ||
| CHEMBL1278113 | 18592 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 3.0 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 | 10.1021/jm100856p | ||
| 52944115 | 18595 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 291 | 1 | 0 | 1 | 4.2 | CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1 | 10.1021/jm100856p | ||
| CHEMBL1278116 | 18595 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 291 | 1 | 0 | 1 | 4.2 | CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1 | 10.1021/jm100856p | ||
| 49833883 | 15570 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 394 | 4 | 1 | 5 | 3.1 | Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222693 | 15570 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 394 | 4 | 1 | 5 | 3.1 | Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| 44156754 | 6417 | 3 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
| CHEMBL1082763 | 6417 | 3 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
| 49836299 | 18542 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| CHEMBL1277770 | 18542 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 375 | 2 | 1 | 2 | 4.4 | O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| 49833886 | 15587 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 396 | 5 | 1 | 6 | 2.5 | COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222764 | 15587 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 396 | 5 | 1 | 6 | 2.5 | COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| 49836639 | 18482 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 377 | 2 | 1 | 3 | 4.6 | O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| CHEMBL1277216 | 18482 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 377 | 2 | 1 | 3 | 4.6 | O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| 46933089 | 15542 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.5 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222554 | 15542 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.5 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| 46867519 | 6415 | 3 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
| CHEMBL1082761 | 6415 | 3 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.5 | CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 | 10.1021/jm100350r | ||
| 44156752 | 6487 | 3 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.4 | CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
| CHEMBL1083075 | 6487 | 3 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 342 | 3 | 1 | 6 | 2.4 | CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
| 10609802 | 106695 | 2 | None | - | 2 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
| CHEMBL316527 | 106695 | 2 | None | - | 2 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
| 155531067 | 171043 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4465512 | 171043 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| 134141831 | 146142 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3923870 | 146142 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 49833882 | 15569 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222692 | 15569 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| 46933090 | 15585 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222762 | 15585 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 400 | 4 | 1 | 5 | 3.1 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| 49836635 | 18465 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 359 | 2 | 1 | 2 | 4.0 | O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1277035 | 18465 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 359 | 2 | 1 | 2 | 4.0 | O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 49836409 | 18534 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 391 | 2 | 2 | 3 | 3.5 | O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| CHEMBL1277679 | 18534 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 391 | 2 | 2 | 3 | 3.5 | O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| 49836300 | 18541 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 389 | 2 | 1 | 2 | 4.8 | CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| CHEMBL1277769 | 18541 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 389 | 2 | 1 | 2 | 4.8 | CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1 | 10.1021/jm100856p | ||
| 134154065 | 151817 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3970041 | 151817 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 11957541 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 1229 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 147 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 170617 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| CHEMBL6616 | 1425 | 38 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm8007618 | ||
| 10609802 | 106695 | 2 | None | - | 2 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
| CHEMBL316527 | 106695 | 2 | None | - | 2 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 235 | 3 | 1 | 4 | 1.1 | COc1c2c(c(CCN)c3c1OCC3)CCO2 | 10.1021/jm970219x | ||
| 1530 | 2142 | 44 | None | -3 | 21 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
| 3827 | 2142 | 44 | None | -3 | 21 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
| 7206 | 2142 | 44 | None | -3 | 21 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
| CHEMBL534 | 2142 | 44 | None | -3 | 21 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
| DB00920 | 2142 | 44 | None | -3 | 21 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1021/jm100856p | ||
| 10440 | 2632 | 15 | None | - | 3 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| 139030523 | 2632 | 15 | None | - | 3 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4449712 | 2632 | 15 | None | - | 3 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| 10751567 | 4456 | 2 | None | - | 2 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
| CHEMBL102347 | 4456 | 2 | None | - | 2 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
| 49864841 | 15540 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222552 | 15540 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
| 49834053 | 15586 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 384 | 4 | 1 | 5 | 2.6 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222763 | 15586 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 384 | 4 | 1 | 5 | 2.6 | CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| 49836634 | 18464 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.0 | O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1277034 | 18464 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.0 | O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 49833882 | 15569 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222692 | 15569 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.0 | O=C(O)C1CCC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.029 | ||
| 25110703 | 189118 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 360 | 2 | 1 | 4 | 3.2 | O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3 | 10.1016/j.bmcl.2008.08.010 | ||
| CHEMBL515624 | 189118 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 360 | 2 | 1 | 4 | 3.2 | O=S(=O)(c1ccccc1)n1cc(Cl)c2cc3c(cc21)CCNCC3 | 10.1016/j.bmcl.2008.08.010 | ||
| 49836528 | 18456 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 373 | 2 | 1 | 2 | 4.0 | O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 | 10.1021/jm100856p | ||
| CHEMBL1276947 | 18456 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 373 | 2 | 1 | 2 | 4.0 | O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 | 10.1021/jm100856p | ||
| 134152052 | 152537 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3976121 | 152537 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 44156628 | 6621 | 3 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 328 | 3 | 1 | 6 | 2.1 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
| CHEMBL1083654 | 6621 | 3 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 328 | 3 | 1 | 6 | 2.1 | CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 | 10.1021/jm100350r | ||
| 10751567 | 4456 | 2 | None | - | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
| CHEMBL102347 | 4456 | 2 | None | - | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1cc(CCN)c2c(c1OC)OCC2 | 10.1021/jm970219x | ||
| 38240 | 107500 | 18 | None | - | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 225 | 6 | 1 | 4 | 1.6 | CCOc1c(OC)cc(CCN)cc1OC | 10.1021/jm970219x | ||
| CHEMBL319415 | 107500 | 18 | None | - | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 225 | 6 | 1 | 4 | 1.6 | CCOc1c(OC)cc(CCN)cc1OC | 10.1021/jm970219x | ||
| 49833884 | 15571 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 380 | 4 | 1 | 5 | 2.8 | Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222694 | 15571 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 380 | 4 | 1 | 5 | 2.8 | Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2 | 10.1016/j.bmcl.2010.07.029 | ||
| 49864886 | 15554 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.6 | CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222624 | 15554 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 366 | 4 | 1 | 5 | 2.6 | CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O | 10.1016/j.bmcl.2010.07.029 | ||
| 155558626 | 174179 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4561016 | 174179 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| 49836633 | 18457 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 347 | 2 | 1 | 2 | 3.6 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1276948 | 18457 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 347 | 2 | 1 | 2 | 3.6 | O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 25184832 | 18493 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.8 | O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| CHEMBL1277312 | 18493 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.8 | O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1 | 10.1021/jm100856p | ||
| 4076 | 96572 | 23 | None | - | 2 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 211 | 5 | 1 | 4 | 1.2 | COc1cc(CCN)cc(OC)c1OC | 10.1021/jm970219x | ||
| CHEMBL26687 | 96572 | 23 | None | - | 2 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 211 | 5 | 1 | 4 | 1.2 | COc1cc(CCN)cc(OC)c1OC | 10.1021/jm970219x | ||
| 2995 | 202690 | 49 | None | -2 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 202690 | 49 | None | -2 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 202690 | 49 | None | -2 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 1225 | 1438 | 24 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1438 | 24 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1438 | 24 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1438 | 24 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1438 | 24 | None | -3 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 2105 | 2993 | 34 | None | -5 | 19 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 2993 | 34 | None | -5 | 19 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 2993 | 34 | None | -5 | 19 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 2993 | 34 | None | -5 | 19 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 2993 | 34 | None | -5 | 19 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 439280 | 119501 | 104 | None | -3 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | None | ||
| 6971044 | 119501 | 104 | None | -3 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | None | ||
| CHEMBL350221 | 119501 | 104 | None | -3 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | None | ||
| 11658860 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| 2941 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| 4374 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| CHEMBL360328 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| DB04871 | 2302 | 47 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| 30699 | 215959 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
| 5215 | 168390 | 100 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 250 | 3 | 2 | 5 | 0.9 | Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | None | ||
| CHEMBL439 | 168390 | 100 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 250 | 3 | 2 | 5 | 0.9 | Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | None | ||
| 4421 | 215979 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 232 | 2 | 1 | 4 | 1.4 | CCN1C=C(C(O)=O)C(=O)C2=CC=C(C)N=C12 | None | ||
| 14052 | 215969 | 0 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 204 | 9 | 4 | 4 | -0.3 | CC[C@@H](CO)NCCN[C@@H](CC)CO | None | ||
| 33613 | 215949 | 0 | None | -1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 365 | 4 | 4 | 6 | 0.0 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(O)=O | None | ||
| 2337 | 3193 | 72 | None | -5 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | None | -5 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | None | -5 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | None | -5 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | None | -5 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 10198431 | 73542 | 0 | None | -7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201930 | 73542 | 0 | None | -7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| 44407335 | 72732 | 0 | None | -7 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201117 | 72732 | 0 | None | -7 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| 44407440 | 138763 | 0 | None | -4 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL379223 | 138763 | 0 | None | -4 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 18715554 | 74060 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202656 | 74060 | 0 | None | -10 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 18715564 | 73018 | 0 | None | -7 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201454 | 73018 | 0 | None | -7 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 18715555 | 74011 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202458 | 74011 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 44407398 | 74054 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202616 | 74054 | 0 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
| 5 | 139 | 66 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
| 5202 | 139 | 66 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
| CHEMBL39 | 139 | 66 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
| DB08839 | 139 | 66 | None | -29 | 55 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.ejmech.2015.08.051 | ||
| 166 | 3295 | 12 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
| 3045227 | 3295 | 12 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL76781 | 3295 | 12 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
| 44407453 | 74039 | 0 | None | -9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202538 | 74039 | 0 | None | -9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
| 18715561 | 72682 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201062 | 72682 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 44407327 | 140703 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL383042 | 140703 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 18715558 | 73519 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201897 | 73519 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 9901086 | 187038 | 28 | None | - | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.1021/jm5019274 | ||
| CHEMBL494947 | 187038 | 28 | None | - | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 304 | 4 | 1 | 5 | 2.1 | Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 | 10.1021/jm5019274 | ||
| 44407337 | 73841 | 0 | None | -5 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202324 | 73841 | 0 | None | -5 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 44407460 | 139807 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL380763 | 139807 | 0 | None | -6 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL5081637 | 212975 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CN(CCc1cn(C)c2cccc(O)c12)CC1CC1 | 10.1021/acsmedchemlett.1c00578 | ||||
| 133 | 2450 | 48 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 2450 | 48 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 2450 | 48 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 2450 | 48 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 2450 | 48 | None | -2 | 43 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| 11291 | 3157 | 23 | None | - | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1021/acsmedchemlett.1c00578 | ||
| 4980 | 3157 | 23 | None | - | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1021/acsmedchemlett.1c00578 | ||
| CHEMBL65547 | 3157 | 23 | None | - | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | 10.1021/acsmedchemlett.1c00578 | ||
| 150 | 2463 | 18 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| 1764 | 2463 | 18 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| 8226 | 2463 | 18 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| CHEMBL1201356 | 2463 | 18 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| DB00353 | 2463 | 18 | None | 1 | 16 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| 191 | 399 | 92 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -5 | 29 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2099 | 9202 | 49 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| CHEMBL1110 | 9202 | 49 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| 11518143 | 88623 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 454 | 12 | 1 | 5 | 4.0 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC | 10.1021/jm3017078 | ||
| CHEMBL2322611 | 88623 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 454 | 12 | 1 | 5 | 4.0 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC | 10.1021/jm3017078 | ||
| CHEMBL2365004 | 88623 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 454 | 12 | 1 | 5 | 4.0 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC | 10.1021/jm3017078 | ||
| 2274 | 3112 | 53 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3112 | 53 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3112 | 53 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3112 | 53 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3112 | 53 | None | -10 | 32 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 25060119 | 103824 | 0 | None | -9332 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
| CHEMBL3099899 | 103824 | 0 | None | -9332 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
| 3033538 | 1287 | 36 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 7155 | 1287 | 36 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 781 | 1287 | 36 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| CHEMBL1201216 | 1287 | 36 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| DB00298 | 1287 | 36 | None | -12 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 213 | 3780 | 50 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 3780 | 50 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 3780 | 50 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 3780 | 50 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 3780 | 50 | None | -5 | 44 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 12488 | 1619 | 51 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 1619 | 51 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 1619 | 51 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 1619 | 51 | None | -11 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 73453 | 29388 | 22 | None | -9 | 17 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| CHEMBL1385840 | 29388 | 22 | None | -9 | 17 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| 25070577 | 111162 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.3 | CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
| CHEMBL3286557 | 111162 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.3 | CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
| 240 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 2769 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 44279790 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 660 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL1729 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL560739 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| DB00604 | 929 | 39 | None | -6 | 25 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 146159245 | 187856 | 27 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| 451415 | 187856 | 27 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| 86289437 | 187856 | 27 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| CHEMBL502620 | 187856 | 27 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| 1224 | 1399 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1399 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1399 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1399 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1399 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1399 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 4178 | 194120 | 58 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
| CHEMBL558 | 194120 | 58 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
| 44190762 | 176296 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
| CHEMBL461571 | 176296 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
| 222757 | 98904 | 70 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
| CHEMBL282575 | 98904 | 70 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
| 2812 | 4696 | 96 | None | -40 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4696 | 96 | None | -40 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 2247 | 502 | 77 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -4 | 42 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 23027035 | 196860 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL578170 | 196860 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1 | 10.1016/j.bmcl.2009.09.003 | ||
| 54764239 | 68509 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL1922537 | 68509 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| 2726 | 904 | 64 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 904 | 64 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 904 | 64 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 904 | 64 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 904 | 64 | None | -19 | 73 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 76072441 | 153401 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 3.4 | C=CCN1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
| CHEMBL3983539 | 153401 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 3.4 | C=CCN1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
| 100 | 3733 | 52 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3733 | 52 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3733 | 52 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3733 | 52 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3733 | 52 | None | -11 | 56 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 134551 | 355 | 25 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 271 | 355 | 25 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 885 | 355 | 25 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| CHEMBL1403281 | 355 | 25 | None | -6 | 21 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 23027211 | 195564 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.3 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL568400 | 195564 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.3 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| 100951644 | 169056 | 11 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 411 | 7 | 2 | 9 | 2.3 | CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccccc1 | 10.1021/acs.jmedchem.9b00260 | ||
| CHEMBL4437106 | 169056 | 11 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 411 | 7 | 2 | 9 | 2.3 | CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccccc1 | 10.1021/acs.jmedchem.9b00260 | ||
| 3042 | 1381 | 31 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1381 | 31 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1381 | 31 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1381 | 31 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1381 | 31 | None | -39 | 15 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 5591 | 156977 | 84 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
| CHEMBL408 | 156977 | 84 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
| 3168 | 9157 | 84 | None | -107 | 22 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1108 | 9157 | 84 | None | -107 | 22 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 127048333 | 140136 | 0 | None | 38 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3815112 | 140136 | 0 | None | 38 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 4543 | 169972 | 36 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169972 | 36 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169972 | 36 | None | -4 | 30 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 1548953 | 205935 | 24 | None | -4 | 17 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205935 | 24 | None | -4 | 17 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 5870 | 31430 | 85 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
| CHEMBL1405 | 31430 | 85 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
| 6319 | 23257 | 90 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
| CHEMBL1333512 | 23257 | 90 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
| 1305 | 508 | 10 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 9934033 | 508 | 10 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL182150 | 508 | 10 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 121318543 | 176983 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 6 | 0 | 6 | 4.7 | COc1c(S(C)(=O)=O)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(c2ncc(C(F)(F)F)cc2Cl)C1 | 10.1016/j.bmcl.2020.127214 | ||
| CHEMBL4640428 | 176983 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 6 | 0 | 6 | 4.7 | COc1c(S(C)(=O)=O)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(c2ncc(C(F)(F)F)cc2Cl)C1 | 10.1016/j.bmcl.2020.127214 | ||
| 16665072 | 98073 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 6 | 3.6 | CN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C | 10.1016/j.bmcl.2006.11.092 | ||
| CHEMBL276393 | 98073 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 6 | 3.6 | CN(C)CCN(C)c1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C | 10.1016/j.bmcl.2006.11.092 | ||
| 155558726 | 174226 | 0 | None | -19 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4562303 | 174226 | 0 | None | -19 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 667590 | 67437 | 12 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL1909048 | 67437 | 12 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 44112 | 120764 | 41 | None | -11 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| CHEMBL357995 | 120764 | 41 | None | -11 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| 17683252 | 67439 | 3 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL1909051 | 67439 | 3 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 155565189 | 174982 | 0 | None | -6 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4579120 | 174982 | 0 | None | -6 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| 3525815 | 73783 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 4.1 | c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1 | 10.1016/j.bmcl.2012.03.032 | ||
| CHEMBL2022867 | 73783 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 4.1 | c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1 | 10.1016/j.bmcl.2012.03.032 | ||
| 2520 | 202301 | 65 | None | -4 | 12 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1280 | 202301 | 65 | None | -4 | 12 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL6966 | 202301 | 65 | None | -4 | 12 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 23027245 | 195442 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL567791 | 195442 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| 10660 | 14283 | 55 | None | -29 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14283 | 55 | None | -29 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 2333 | 141791 | 91 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
| CHEMBL388590 | 141791 | 91 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
| 2771 | 193337 | 67 | None | 1 | 27 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL1200781 | 193337 | 67 | None | 1 | 27 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL549 | 193337 | 67 | None | 1 | 27 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| 104903 | 56035 | 14 | None | -4 | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL1630578 | 56035 | 14 | None | -4 | 6 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| 2723 | 153500 | 104 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
| CHEMBL398440 | 153500 | 104 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
| 1379258 | 67438 | 13 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL1909050 | 67438 | 13 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 76072442 | 145843 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 4.0 | CC(C)(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
| CHEMBL3921628 | 145843 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 4.0 | CC(C)(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
| 11277147 | 105847 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092759 | 105847 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139188 | 105847 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 76072471 | 152991 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 6 | 0 | 4 | 3.8 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCC1 | nan | ||
| CHEMBL3980023 | 152991 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 6 | 0 | 4 | 3.8 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCC1 | nan | ||
| 11452268 | 81147 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 4.2 | Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2006.11.092 | ||
| CHEMBL216228 | 81147 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 4.2 | Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2006.11.092 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.03.006 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2016.11.014 | ||
| 9881053 | 119727 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| CHEMBL35226 | 119727 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| 1201549 | 590 | 22 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -26 | 20 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 5510 | 204127 | 97 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
| CHEMBL83668 | 204127 | 97 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
| 44393396 | 126762 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.6 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3cccc(Cl)c3Cl)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| CHEMBL365882 | 126762 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.6 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3cccc(Cl)c3Cl)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| 4122 | 205881 | 102 | None | -3 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
| CHEMBL9514 | 205881 | 102 | None | -3 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
| 1353 | 1872 | 85 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1872 | 85 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1872 | 85 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1872 | 85 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1872 | 85 | None | -295 | 86 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 1016 | 3678 | 75 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3678 | 75 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3678 | 75 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3678 | 75 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3678 | 75 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3678 | 75 | None | -17 | 35 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL1909069 | 207322 | 0 | None | -1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 1343 | 1850 | 55 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 1850 | 55 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 1850 | 55 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 1850 | 55 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 1850 | 55 | None | -14 | 9 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 2337 | 3193 | 72 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3193 | 72 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3193 | 72 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3193 | 72 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3193 | 72 | None | -15 | 63 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 122196341 | 123741 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
| CHEMBL3634745 | 123741 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
| 2585 | 788 | 100 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 788 | 100 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 788 | 100 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 788 | 100 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 788 | 100 | None | -18 | 22 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 2389 | 3267 | 114 | None | -79 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3267 | 114 | None | -79 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3267 | 114 | None | -79 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3267 | 114 | None | -79 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3267 | 114 | None | -79 | 68 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 2801 | 161313 | 56 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161313 | 56 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161313 | 56 | None | -3 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 1605 | 2300 | 110 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 3957 | 2300 | 110 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 7216 | 2300 | 110 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| CHEMBL998 | 2300 | 110 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| DB00455 | 2300 | 110 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 45482789 | 197237 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | ||
| CHEMBL584554 | 197237 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | ||
| 122185011 | 122036 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 339 | 3 | 0 | 3 | 5.0 | COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC | 10.1039/C4MD00113C | ||
| CHEMBL3601563 | 122036 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 339 | 3 | 0 | 3 | 5.0 | COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC | 10.1039/C4MD00113C | ||
| 11080 | 28857 | 74 | None | -6 | 6 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| CHEMBL1381098 | 28857 | 74 | None | -6 | 6 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| 3151 | 1429 | 93 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 1429 | 93 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 1429 | 93 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 1429 | 93 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 1429 | 93 | None | -125 | 27 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 5818 | 3722 | 42 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 10.1021/jm401431x | ||
| 5886965 | 3722 | 42 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 10.1021/jm401431x | ||
| CHEMBL1368005 | 3722 | 42 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 10.1021/jm401431x | ||
| 76072440 | 148806 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 6 | 0 | 4 | 3.6 | CC(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
| CHEMBL3945224 | 148806 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 6 | 0 | 4 | 3.6 | CC(C)N1CC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O | nan | ||
| 1227 | 2444 | 35 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 2331 | 2444 | 35 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 3957 | 2444 | 35 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 4992 | 2444 | 35 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| CHEMBL511 | 2444 | 35 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| DB06691 | 2444 | 35 | None | -112 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 42636941 | 178361 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| CHEMBL470432 | 178361 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 119584 | 2547 | 99 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| 1848 | 2547 | 99 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| 242 | 2547 | 99 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| CHEMBL60889 | 2547 | 99 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| DB11675 | 2547 | 99 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| 76072443 | 151034 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 391 | 6 | 0 | 4 | 3.4 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CC1 | nan | ||
| CHEMBL3963333 | 151034 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 391 | 6 | 0 | 4 | 3.4 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CC1 | nan | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.bmc.2013.03.016 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 72548703 | 161007 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161007 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 1043 | 1545 | 13 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 149 | 1545 | 13 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 8223 | 1545 | 13 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL442 | 1545 | 13 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00696 | 1545 | 13 | None | -22 | 29 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 23027527 | 195107 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL565551 | 195107 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 23027411 | 196833 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL577912 | 196833 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 5318 | 15385 | 44 | None | -1 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15385 | 44 | None | -1 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15385 | 44 | None | -1 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 1531 | 2226 | 64 | None | -16 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 3869 | 2226 | 64 | None | -16 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 7207 | 2226 | 64 | None | -16 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| CHEMBL429 | 2226 | 64 | None | -16 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| DB00598 | 2226 | 64 | None | -16 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 124 | 2921 | 44 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2921 | 44 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2921 | 44 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2921 | 44 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2921 | 44 | None | -181 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 45485062 | 195482 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL567993 | 195482 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
| 44404883 | 71703 | 26 | None | -2 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||
| CHEMBL197664 | 71703 | 26 | None | -2 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||
| 15987265 | 195202 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL566075 | 195202 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 3191 | 102372 | 93 | None | -7 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102372 | 93 | None | -7 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 448537 | 159691 | 86 | None | -21 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 159691 | 86 | None | -21 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 5897 | 104719 | 71 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
| CHEMBL311469 | 104719 | 71 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
| 72197486 | 102017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 4 | 2 | 4 | 4.2 | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 | 10.1016/j.ejmech.2013.02.020 | ||
| CHEMBL2393245 | 102017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 4 | 2 | 4 | 4.2 | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 | 10.1016/j.ejmech.2013.02.020 | ||
| CHEMBL3040361 | 102017 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 364 | 4 | 2 | 4 | 4.2 | Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 | 10.1016/j.ejmech.2013.02.020 | ||
| 45484995 | 196832 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL577904 | 196832 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 127048335 | 140049 | 0 | None | 15 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3813726 | 140049 | 0 | None | 15 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 196129 | 67441 | 12 | None | -26 | 15 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| CHEMBL1909065 | 67441 | 12 | None | -26 | 15 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| 4011 | 81982 | 43 | None | -20 | 24 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81982 | 43 | None | -20 | 24 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 4601 | 205010 | 29 | None | -4 | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205010 | 29 | None | -4 | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205010 | 29 | None | -4 | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 68617 | 203806 | 60 | None | -15 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203806 | 60 | None | -15 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203806 | 60 | None | -15 | 26 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 165193 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3126 | 60 | None | -72 | 43 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2353 | 100630 | 75 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL12089 | 100630 | 75 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL295124 | 100630 | 75 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| 3117 | 206096 | 100 | None | -8 | 16 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 206096 | 100 | None | -8 | 16 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 2284 | 3121 | 27 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3121 | 27 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3121 | 27 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3121 | 27 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3121 | 27 | None | -16 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 11304816 | 65932 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 4.0 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| CHEMBL184717 | 65932 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 4.0 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| 11536844 | 114611 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343672 | 114611 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 2351 | 3222 | 60 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 3222 | 60 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 3222 | 60 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 3222 | 60 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 3222 | 60 | None | -7 | 21 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 444795 | 139456 | 102 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
| CHEMBL38 | 139456 | 102 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
| 26987 | 934 | 29 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 934 | 29 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 934 | 29 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 934 | 29 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 934 | 29 | None | -47 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 72734860 | 103467 | 0 | None | 6 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092753 | 103467 | 0 | None | 6 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 3973 | 206429 | 104 | None | -44 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
| CHEMBL98350 | 206429 | 104 | None | -44 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
| 3157 | 1437 | 69 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 7170 | 1437 | 69 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 954 | 1437 | 69 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| CHEMBL707 | 1437 | 69 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| DB00590 | 1437 | 69 | None | -37 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 58438464 | 3004 | 28 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| 9060 | 3004 | 28 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| CHEMBL3287218 | 3004 | 28 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| DB14870 | 3004 | 28 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| 6726 | 1249 | 46 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1249 | 46 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1249 | 46 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1249 | 46 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1249 | 46 | None | -7 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 118112300 | 155441 | 12 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
| CHEMBL4061793 | 155441 | 12 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | ||
| 2142 | 3035 | 54 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 3035 | 54 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 3035 | 54 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 3035 | 54 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 3035 | 54 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 3035 | 54 | None | -43 | 37 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 1212 | 1624 | 45 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1624 | 45 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1624 | 45 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1624 | 45 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1624 | 45 | None | -27 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 1042 | 1544 | 20 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| 148 | 1544 | 20 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| 443884 | 1544 | 20 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| CHEMBL119443 | 1544 | 20 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| DB01253 | 1544 | 20 | None | -7 | 17 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| 44393215 | 66315 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 5.4 | Cc1cc(NC(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| CHEMBL185376 | 66315 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 5.4 | Cc1cc(NC(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| 74538762 | 142997 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 419 | 6 | 0 | 4 | 4.2 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1 | nan | ||
| CHEMBL3898995 | 142997 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 419 | 6 | 0 | 4 | 4.2 | O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1 | nan | ||
| 1599 | 2299 | 47 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 2299 | 47 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 2299 | 47 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 2299 | 47 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 2299 | 47 | None | -144 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 165193 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3126 | 60 | None | -72 | 43 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4209 | 3102 | 71 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 3102 | 71 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 3102 | 71 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 3102 | 71 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 3102 | 71 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 3102 | 71 | None | -758 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL5079070 | 212822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)N(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||||
| 124087 | 1357 | 106 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1357 | 106 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1357 | 106 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1357 | 106 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1357 | 106 | None | -5 | 15 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 72198754 | 90435 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 443 | 8 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL2392349 | 90435 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 443 | 8 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
| 58438475 | 91827 | 0 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml500414n | ||
| CHEMBL2426677 | 91827 | 0 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml500414n | ||
| 21138 | 97986 | 34 | None | -6 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| CHEMBL275742 | 97986 | 34 | None | -6 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| 10389430 | 125417 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.3 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| CHEMBL364863 | 125417 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.3 | Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 | 10.1016/j.bmcl.2004.05.051 | ||
| 1530 | 2142 | 44 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2142 | 44 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2142 | 44 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2142 | 44 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2142 | 44 | None | -19 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 5353853 | 17788 | 41 | None | -23 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 17788 | 41 | None | -23 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 17788 | 41 | None | -23 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 2600 | 3708 | 73 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 3708 | 73 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 3708 | 73 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 3708 | 73 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 3708 | 73 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 4211 | 57502 | 81 | None | -2 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
| CHEMBL1670 | 57502 | 81 | None | -2 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
| 6761 | 67442 | 17 | None | -7 | 18 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 67442 | 17 | None | -7 | 18 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 1588 | 2284 | 24 | None | -8 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 2284 | 24 | None | -8 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 2284 | 24 | None | -8 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 2284 | 24 | None | -8 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 2284 | 24 | None | -8 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 206 | 2447 | 10 | None | -1 | 25 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 68848 | 2447 | 10 | None | -1 | 25 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL12314 | 2447 | 10 | None | -1 | 25 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 44516817 | 57343 | 4 | None | -4365 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
| CHEMBL1668584 | 57343 | 4 | None | -4365 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 316 | 3 | 1 | 6 | 2.2 | CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2011.01.038 | ||
| 6075 | 149563 | 36 | None | -8 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 149563 | 36 | None | -8 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 5624 | 32459 | 12 | None | 5 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| CHEMBL1203324 | 32459 | 12 | None | 5 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| CHEMBL141343 | 32459 | 12 | None | 5 | 10 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| 11694810 | 120015 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310123 | 120015 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545474 | 120015 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| 44592109 | 178499 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 5 | 4.4 | CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| CHEMBL471663 | 178499 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 5 | 4.4 | CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| 169713 | 79736 | 17 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.6 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1 | 10.1016/j.bmcl.2009.09.002 | ||
| CHEMBL21343 | 79736 | 17 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.6 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1 | 10.1016/j.bmcl.2009.09.002 | ||
| 4943 | 192804 | 100 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
| CHEMBL526 | 192804 | 100 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
| 11500509 | 120057 | 0 | None | -3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343670 | 120057 | 0 | None | -3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545812 | 120057 | 0 | None | -3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 4189 | 205185 | 91 | None | -26 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205185 | 91 | None | -26 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205185 | 91 | None | -26 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 2683 | 102402 | 24 | None | -501 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102402 | 24 | None | -501 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102402 | 24 | None | -501 | 16 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 3598 | 187228 | 73 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| CHEMBL496 | 187228 | 73 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| 135398745 | 2858 | 108 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2858 | 108 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2858 | 108 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2858 | 108 | None | -5 | 66 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 107715 | 199250 | 18 | None | -14 | 20 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL1255837 | 199250 | 18 | None | -14 | 20 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL601773 | 199250 | 18 | None | -14 | 20 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| 122196341 | 123741 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
| CHEMBL3634745 | 123741 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 6.0 | O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 | 10.1021/acs.jmedchem.5b01240 | ||
| 10531 | 1387 | 18 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 121 | 1387 | 18 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 888 | 1387 | 18 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL1732 | 1387 | 18 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00320 | 1387 | 18 | None | -15 | 24 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 1836 | 2544 | 56 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 3340 | 2544 | 56 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 5281040 | 2544 | 56 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| CHEMBL787 | 2544 | 56 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| DB00471 | 2544 | 56 | None | -69 | 15 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 14049689 | 196756 | 8 | None | 20 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
| CHEMBL577294 | 196756 | 8 | None | 20 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
| 72198756 | 90437 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 8 | 0 | 5 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3c(Cl)nc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL2392351 | 90437 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 8 | 0 | 5 | 4.8 | COc1ccccc1N1CCN(CCCCCN2Cc3c(Cl)nc4ccccc4c3C2=O)CC1 | 10.1016/j.ejmech.2013.01.044 | ||
| 1782 | 2472 | 81 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 241 | 2472 | 81 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 4168 | 2472 | 81 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| CHEMBL86 | 2472 | 81 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| DB01233 | 2472 | 81 | None | -3 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 72713752 | 103255 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 396 | 5 | 2 | 7 | 3.0 | Cc1csc(C(C)(O)c2nnc(NC(=O)Cc3c(F)cccc3F)s2)n1 | 10.1021/jm4012033 | ||
| CHEMBL3088176 | 103255 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 396 | 5 | 2 | 7 | 3.0 | Cc1csc(C(C)(O)c2nnc(NC(=O)Cc3c(F)cccc3F)s2)n1 | 10.1021/jm4012033 | ||
| 90644511 | 111161 | 13 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C | 10.1021/jm5003292 | ||
| CHEMBL3286556 | 111161 | 13 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 2.4 | CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C | 10.1021/jm5003292 | ||
| 2406 | 99925 | 84 | None | -27 | 12 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL290106 | 99925 | 84 | None | -27 | 12 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| 2286 | 3122 | 48 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3122 | 48 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3122 | 48 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3122 | 48 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3122 | 48 | None | -5 | 30 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 3198 | 203792 | 73 | None | -30 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203792 | 73 | None | -30 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203792 | 73 | None | -30 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 135 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 180 | 397 | 50 | None | -35 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -35 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -35 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -35 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -35 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 4595 | 176131 | 102 | None | 2 | 15 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| CHEMBL46 | 176131 | 102 | None | 2 | 15 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| 11536843 | 114612 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343673 | 114612 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 1547484 | 925 | 70 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 925 | 70 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 925 | 70 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 925 | 70 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 925 | 70 | None | -8 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 102 | 4051 | 44 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 3659 | 4051 | 44 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 8969 | 4051 | 44 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| CHEMBL15245 | 4051 | 44 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| DB01392 | 4051 | 44 | None | -93 | 50 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 2477 | 732 | 54 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 36 | 732 | 54 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 437 | 732 | 54 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| CHEMBL49 | 732 | 54 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| DB00490 | 732 | 54 | None | -13 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 71499384 | 110648 | 36 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 448 | 8 | 1 | 5 | 4.5 | COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OC | 10.1021/jm401431x | ||
| CHEMBL3264204 | 110648 | 36 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 448 | 8 | 1 | 5 | 4.5 | COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OC | 10.1021/jm401431x | ||
| 2105 | 2993 | 34 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 47811 | 2993 | 34 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 48 | 2993 | 34 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| CHEMBL531 | 2993 | 34 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| DB01186 | 2993 | 34 | None | -28 | 33 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 67406727 | 116677 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| CHEMBL3394201 | 116677 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| 11957735 | 198328 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 4.0 | CN(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(O)c2)n1 | 10.1016/j.bmc.2009.07.007 | ||
| CHEMBL595449 | 198328 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 4.0 | CN(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(O)c2)n1 | 10.1016/j.bmc.2009.07.007 | ||
| 2028 | 2919 | 77 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2919 | 77 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2919 | 77 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2919 | 77 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2919 | 77 | None | -40 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 31101 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 35 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 403 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| CHEMBL493 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| DB01200 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 161 | 741 | 3 | None | 2 | 6 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
| 4284720 | 741 | 3 | None | 2 | 6 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
| CHEMBL1255834 | 741 | 3 | None | 2 | 6 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
| 54764240 | 68511 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL1922539 | 68511 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL5085055 | 213163 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CCN(C)CCc1cn(C)c2cccc(O)c12 | 10.1021/acsmedchemlett.1c00578 | ||||
| 4098 | 32274 | 24 | None | -14 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32274 | 24 | None | -14 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32274 | 24 | None | -14 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 54764241 | 68510 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL1922538 | 68510 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| 5282379 | 193304 | 64 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
| CHEMBL547 | 193304 | 64 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
| 146420029 | 184169 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 4.2 | CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 | 10.1016/j.ejmech.2021.113782 | ||
| CHEMBL4851044 | 184169 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 4.2 | CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 | 10.1016/j.ejmech.2021.113782 | ||
| 3158 | 55959 | 21 | None | -389 | 20 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55959 | 21 | None | -389 | 20 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 72197484 | 102008 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
| CHEMBL2393243 | 102008 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
| CHEMBL3040324 | 102008 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
| 277 | 1269 | 55 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1269 | 55 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1269 | 55 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1269 | 55 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1269 | 55 | None | -5 | 46 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 1305 | 508 | 10 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 9934033 | 508 | 10 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL182150 | 508 | 10 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 9861687 | 188600 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 315 | 4 | 0 | 5 | 3.7 | CCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| CHEMBL511312 | 188600 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 315 | 4 | 0 | 5 | 3.7 | CCN1CCC(COc2nc3ccsc3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| 2291 | 3123 | 52 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 2561 | 3123 | 52 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 4932 | 3123 | 52 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| CHEMBL631 | 3123 | 52 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| DB01182 | 3123 | 52 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 176 | 394 | 63 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -1 | 31 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 657255 | 197396 | 29 | None | -9 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 197396 | 29 | None | -9 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 3952 | 1849 | 33 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 1849 | 33 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 1849 | 33 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 1849 | 33 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 1849 | 33 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 1849 | 33 | None | -3 | 12 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 24360 | 201644 | 101 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
| CHEMBL65 | 201644 | 101 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
| 127048334 | 140057 | 0 | None | 13 | 3 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3813796 | 140057 | 0 | None | 13 | 3 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 10851262 | 40303 | 0 | None | 1 | 3 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 3.7 | Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL148346 | 40303 | 0 | None | 1 | 3 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 3.7 | Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| 9972439 | 40355 | 0 | None | -1 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 3.7 | CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL148385 | 40355 | 0 | None | -1 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 3.7 | CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| 10851406 | 118746 | 1 | None | -1 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.9 | O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21 | 10.1021/jm960571v | ||
| CHEMBL343666 | 118746 | 1 | None | -1 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.9 | O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21 | 10.1021/jm960571v | ||
| 141 | 1394 | 32 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
| 6089 | 1394 | 32 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
| CHEMBL12420 | 1394 | 32 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
| DB01488 | 1394 | 32 | None | -11 | 22 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm00343a013 | ||
| 12281266 | 31601 | 4 | None | - | 1 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 3.7 | CC(C)CCn1ccc2ccccc21 | 10.1021/jm00367a008 | ||
| CHEMBL140663 | 31601 | 4 | None | - | 1 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 3.7 | CC(C)CCn1ccc2ccccc21 | 10.1021/jm00367a008 | ||
| 6088 | 119324 | 54 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 174 | 3 | 2 | 1 | 1.9 | CNCCc1c[nH]c2ccccc12 | 10.1021/jm00343a013 | ||
| CHEMBL348588 | 119324 | 54 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 174 | 3 | 2 | 1 | 1.9 | CNCCc1c[nH]c2ccccc12 | 10.1021/jm00343a013 | ||
| 10637557 | 36027 | 0 | None | 5 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.7 | CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL144567 | 36027 | 0 | None | 5 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.7 | CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| 152234 | 55717 | 20 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1cccc(CC(C)N)c1 | 10.1021/jm00144a009 | ||
| CHEMBL16247 | 55717 | 20 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1cccc(CC(C)N)c1 | 10.1021/jm00144a009 | ||
| 44359526 | 116118 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2c(ccn2CCC(C)C)c1 | 10.1021/jm00367a008 | ||
| CHEMBL336928 | 116118 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2c(ccn2CCC(C)C)c1 | 10.1021/jm00367a008 | ||
| 44359525 | 28643 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
| CHEMBL137933 | 28643 | 1 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
| 805647 | 30580 | 11 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 189 | 3 | 0 | 3 | 1.6 | CN(C)CCn1cnc2ccccc21 | 10.1021/jm00367a008 | ||
| CHEMBL139655 | 30580 | 11 | None | - | 1 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 189 | 3 | 0 | 3 | 1.6 | CN(C)CCn1cnc2ccccc21 | 10.1021/jm00367a008 | ||
| 143435 | 99220 | 4 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
| CHEMBL284589 | 99220 | 4 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
| 62787 | 204457 | 17 | None | -3 | 10 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | 10.1021/jm00144a009 | ||
| CHEMBL8642 | 204457 | 17 | None | -3 | 10 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | 10.1021/jm00144a009 | ||
| 9904139 | 106497 | 0 | None | 1 | 5 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm960571v | ||
| CHEMBL315223 | 106497 | 0 | None | 1 | 5 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm960571v | ||
| 31014 | 204165 | 16 | None | 2 | 4 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(OC)cc1CC(C)N | 10.1021/jm00144a009 | ||
| CHEMBL8389 | 204165 | 16 | None | 2 | 4 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(OC)cc1CC(C)N | 10.1021/jm00144a009 | ||
| 144891 | 106890 | 8 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 241 | 5 | 1 | 4 | 2.3 | COc1cc(OC)c(SC)cc1CC(C)N | 10.1021/jm00144a009 | ||
| CHEMBL31787 | 106890 | 8 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 241 | 5 | 1 | 4 | 2.3 | COc1cc(OC)c(SC)cc1CC(C)N | 10.1021/jm00144a009 | ||
| 9904139 | 106497 | 0 | None | 1 | 5 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm00014a004 | ||
| CHEMBL315223 | 106497 | 0 | None | 1 | 5 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 | 10.1021/jm00014a004 | ||
| 141685 | 106552 | 4 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
| CHEMBL31557 | 106552 | 4 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
| 11806221 | 119704 | 1 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)C(CCN(C)C)CN2 | 10.1021/jm00343a013 | ||
| CHEMBL352140 | 119704 | 1 | None | - | 1 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)C(CCN(C)C)CN2 | 10.1021/jm00343a013 | ||
| 10757038 | 118716 | 0 | None | 1 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.5 | Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL343455 | 118716 | 0 | None | 1 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.5 | Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| 10690384 | 120430 | 0 | None | -3 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 4.7 | O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21 | 10.1021/jm960571v | ||
| CHEMBL356146 | 120430 | 0 | None | -3 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 4.7 | O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21 | 10.1021/jm960571v | ||
| 44359444 | 28901 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
| CHEMBL138144 | 28901 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 217 | 4 | 0 | 2 | 3.7 | COc1ccc2ccn(CCC(C)C)c2c1 | 10.1021/jm00367a008 | ||
| 12655251 | 118791 | 52 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 162 | 2 | 2 | 2 | 1.5 | NCCC1CNc2ccccc21 | 10.1021/jm00367a008 | ||
| CHEMBL344028 | 118791 | 52 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 162 | 2 | 2 | 2 | 1.5 | NCCC1CNc2ccccc21 | 10.1021/jm00367a008 | ||
| 11074217 | 52512 | 4 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 190 | 3 | 1 | 2 | 2.1 | CN(C)CCC1CNc2ccccc21 | 10.1021/jm00343a013 | ||
| CHEMBL159503 | 52512 | 4 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 190 | 3 | 1 | 2 | 2.1 | CN(C)CCC1CNc2ccccc21 | 10.1021/jm00343a013 | ||
| 547452 | 54491 | 2 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 2.6 | CN(C)CCC1=CCc2ccccc21 | 10.1021/jm00343a013 | ||
| CHEMBL161241 | 54491 | 2 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 187 | 3 | 0 | 1 | 2.6 | CN(C)CCC1=CCc2ccccc21 | 10.1021/jm00343a013 | ||
| 12451869 | 54883 | 5 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| CHEMBL161751 | 54883 | 5 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| 144889 | 98852 | 6 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(OC)c(CC(C)N)cc1C | 10.1021/jm00144a009 | ||
| CHEMBL282183 | 98852 | 6 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(OC)c(CC(C)N)cc1C | 10.1021/jm00144a009 | ||
| 34677 | 101736 | 79 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 147 | 0 | 1 | 1 | 1.5 | NC1CCc2ccccc2C1 | 10.1021/jm00343a013 | ||
| CHEMBL30294 | 101736 | 79 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 147 | 0 | 1 | 1 | 1.5 | NC1CCc2ccccc2C1 | 10.1021/jm00343a013 | ||
| 141047 | 98934 | 15 | None | 1 | 3 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
| CHEMBL282734 | 98934 | 15 | None | 1 | 3 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
| 31016 | 101804 | 12 | None | -11 | 5 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | 10.1021/jm00144a009 | ||
| CHEMBL30336 | 101804 | 12 | None | -11 | 5 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | 10.1021/jm00144a009 | ||
| 15011362 | 52351 | 20 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | NCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| CHEMBL159346 | 52351 | 20 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | NCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| 744368 | 164366 | 17 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 190 | 3 | 0 | 2 | 1.6 | CN(C)CCN1CCc2ccccc21 | 10.1021/jm00367a008 | ||
| CHEMBL422471 | 164366 | 17 | None | - | 1 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 190 | 3 | 0 | 2 | 1.6 | CN(C)CCN1CCc2ccccc21 | 10.1021/jm00367a008 | ||
| 159755 | 56785 | 57 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccccc1CC(C)N | 10.1021/jm00144a009 | ||
| CHEMBL16451 | 56785 | 57 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccccc1CC(C)N | 10.1021/jm00144a009 | ||
| 91255 | 98641 | 9 | None | 1 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(CC(C)N)c1OC | 10.1021/jm00144a009 | ||
| CHEMBL280855 | 98641 | 9 | None | 1 | 2 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(CC(C)N)c1OC | 10.1021/jm00144a009 | ||
| 189 | 3423 | 31 | None | 2 | 18 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm960571v | ||
| 5163 | 3423 | 31 | None | 2 | 18 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL297784 | 3423 | 31 | None | 2 | 18 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm960571v | ||
| 189 | 3423 | 31 | None | 2 | 18 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm00014a004 | ||
| 5163 | 3423 | 31 | None | 2 | 18 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm00014a004 | ||
| CHEMBL297784 | 3423 | 31 | None | 2 | 18 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm00014a004 | ||
| 10683987 | 120752 | 1 | None | 3 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 278 | 1 | 2 | 2 | 3.2 | O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21 | 10.1021/jm960571v | ||
| CHEMBL357870 | 120752 | 1 | None | 3 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 278 | 1 | 2 | 2 | 3.2 | O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21 | 10.1021/jm960571v | ||
| 1614 | 201951 | 22 | None | -2 | 10 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | 10.1021/jm00144a009 | ||
| CHEMBL6731 | 201951 | 22 | None | -2 | 10 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | 10.1021/jm00144a009 | ||
| 8423 | 98223 | 26 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
| CHEMBL277540 | 98223 | 26 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(CC(C)N)cc1OC | 10.1021/jm00144a009 | ||
| 126769 | 204313 | 35 | None | -1 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00014a004 | ||
| CHEMBL536255 | 204313 | 35 | None | -1 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00014a004 | ||
| CHEMBL85194 | 204313 | 35 | None | -1 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1021/jm00014a004 | ||
| 12451869 | 54883 | 5 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| CHEMBL161751 | 54883 | 5 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 175 | 3 | 1 | 1 | 2.3 | CNCCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| 155 | 718 | 20 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| 163 | 718 | 20 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| 62065 | 718 | 20 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| CHEMBL6607 | 718 | 20 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| DB01484 | 718 | 20 | None | -10 | 13 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| 44375004 | 52711 | 1 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 189 | 3 | 0 | 1 | 2.7 | CN(C)CCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| CHEMBL159689 | 52711 | 1 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 189 | 3 | 0 | 1 | 2.7 | CN(C)CCC1CCc2ccccc21 | 10.1021/jm00343a013 | ||
| 44359477 | 115921 | 0 | None | - | 1 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2ccn(CCC(C)C)c12 | 10.1021/jm00367a008 | ||
| CHEMBL336042 | 115921 | 0 | None | - | 1 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2ccn(CCC(C)C)c12 | 10.1021/jm00367a008 | ||
| 77042 | 187763 | 52 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 177 | 4 | 0 | 2 | 1.8 | CN(C)CCC(=O)c1ccccc1 | 10.1021/jm00343a013 | ||
| CHEMBL50115 | 187763 | 52 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 177 | 4 | 0 | 2 | 1.8 | CN(C)CCC(=O)c1ccccc1 | 10.1021/jm00343a013 | ||
| 31015 | 117898 | 12 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
| CHEMBL34108 | 117898 | 12 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1cc(OC)c(CC(C)N)c(OC)c1 | 10.1021/jm00144a009 | ||
| 10335310 | 204275 | 0 | None | 75 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2cc3c(cc21)CCCN3C(=O)Nc1cccnc1 | 10.1021/jm00014a004 | ||
| CHEMBL84888 | 204275 | 0 | None | 75 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2cc3c(cc21)CCCN3C(=O)Nc1cccnc1 | 10.1021/jm00014a004 | ||
| 33984 | 29413 | 37 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 192 | 5 | 0 | 2 | 2.1 | CCN(CCN(C)C)c1ccccc1 | 10.1021/jm00367a008 | ||
| CHEMBL138604 | 29413 | 37 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 192 | 5 | 0 | 2 | 2.1 | CCN(CCN(C)C)c1ccccc1 | 10.1021/jm00367a008 | ||
| 1150 | 3805 | 116 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
| 125 | 3805 | 116 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
| CHEMBL6640 | 3805 | 116 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
| DB08653 | 3805 | 116 | None | -8 | 25 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 10.1021/jm00343a013 | ||
| 3007 | 155132 | 25 | None | -1 | 6 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | 10.1021/jm00144a009 | ||
| CHEMBL405 | 155132 | 25 | None | -1 | 6 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | 10.1021/jm00144a009 | ||
| 127035062 | 135915 | 0 | None | -4 | 19 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735756 | 135915 | 0 | None | -4 | 19 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 10591799 | 39695 | 0 | None | 1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.2 | CC(C)n1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL147820 | 39695 | 0 | None | 1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.2 | CC(C)n1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| 44363813 | 40304 | 0 | None | 19 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 305 | 1 | 1 | 2 | 4.1 | Cc1cn(C)c2cc3c(cc12)N(C(=O)Nc1ccccc1)CC3 | 10.1021/jm960571v | ||
| CHEMBL148347 | 40304 | 0 | None | 19 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 305 | 1 | 1 | 2 | 4.1 | Cc1cn(C)c2cc3c(cc12)N(C(=O)Nc1ccccc1)CC3 | 10.1021/jm960571v | ||
| 10335309 | 204316 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CCC3 | 10.1021/jm00014a004 | ||
| CHEMBL85247 | 204316 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 3.6 | Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CCC3 | 10.1021/jm00014a004 | ||
| 31721 | 98353 | 37 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccc(CC(C)N)cc1 | 10.1021/jm00144a009 | ||
| CHEMBL278663 | 98353 | 37 | None | - | 1 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 165 | 3 | 1 | 2 | 1.6 | COc1ccc(CC(C)N)cc1 | 10.1021/jm00144a009 | ||
| 10495940 | 78433 | 0 | None | 1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.0 | CCCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| CHEMBL2112859 | 78433 | 0 | None | 1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.0 | CCCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 | 10.1021/jm960571v | ||
| 44359524 | 28641 | 1 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2c1ccn2CCC(C)C | 10.1021/jm00367a008 | ||
| CHEMBL137932 | 28641 | 1 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 201 | 3 | 0 | 1 | 4.0 | Cc1cccc2c1ccn2CCC(C)C | 10.1021/jm00367a008 | ||
| 164 | 1427 | 17 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| 85875 | 1427 | 17 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| CHEMBL8600 | 1427 | 17 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| DB01528 | 1427 | 17 | None | -3 | 10 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | 10.1021/jm00144a009 | ||
| 141048 | 102383 | 6 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(OC)c1CC(C)N | 10.1021/jm00144a009 | ||
| CHEMBL30577 | 102383 | 6 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 195 | 4 | 1 | 3 | 1.6 | COc1cccc(OC)c1CC(C)N | 10.1021/jm00144a009 | ||
| 25187 | 99822 | 25 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 163 | 4 | 0 | 1 | 2.2 | CN(C)CCCc1ccccc1 | 10.1021/jm00343a013 | ||
| CHEMBL289199 | 99822 | 25 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 163 | 4 | 0 | 1 | 2.2 | CN(C)CCCc1ccccc1 | 10.1021/jm00343a013 | ||
| 44359556 | 118910 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)NCC2CCN(C)C | 10.1021/jm00367a008 | ||
| CHEMBL344878 | 118910 | 0 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 220 | 4 | 1 | 3 | 2.2 | COc1ccc2c(c1)NCC2CCN(C)C | 10.1021/jm00367a008 | ||
| 145 | 140 | 48 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
| 1832 | 140 | 48 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
| CHEMBL7257 | 140 | 48 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
| DB14010 | 140 | 48 | None | -16 | 30 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm00343a013 | ||
| 31012 | 102630 | 15 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1ccc(CC(C)N)c(OC)c1OC | 10.1021/jm00144a009 | ||
| CHEMBL30777 | 102630 | 15 | None | - | 1 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 225 | 5 | 1 | 4 | 1.6 | COc1ccc(CC(C)N)c(OC)c1OC | 10.1021/jm00144a009 | ||
| 81206 | 29422 | 32 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00367a008 | ||
| CHEMBL138614 | 29422 | 32 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00367a008 | ||
| 81206 | 29422 | 32 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00343a013 | ||
| CHEMBL138614 | 29422 | 32 | None | - | 1 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 164 | 4 | 1 | 2 | 1.7 | CN(C)CCNc1ccccc1 | 10.1021/jm00343a013 | ||
| 11666595 | 120008 | 0 | None | 301 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310115 | 120008 | 0 | None | 301 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545467 | 120008 | 0 | None | 301 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 9839057 | 41138 | 3 | None | -9 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 293 | 2 | 1 | 3 | 3.8 | CC(N)Cc1c2ccoc2c(Br)c2ccoc12 | 10.1021/jm9803525 | ||
| CHEMBL149024 | 41138 | 3 | None | -9 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 293 | 2 | 1 | 3 | 3.8 | CC(N)Cc1c2ccoc2c(Br)c2ccoc12 | 10.1021/jm9803525 | ||
| 9953185 | 205875 | 2 | None | 97 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.6 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL95121 | 205875 | 2 | None | 97 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.6 | COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC | 10.1021/acs.jmedchem.2c00633 | ||
| 133 | 2450 | 48 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 2450 | 48 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 2450 | 48 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 2450 | 48 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 2450 | 48 | None | -2 | 43 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 188 | 3327 | 73 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1021/acs.jmedchem.2c00633 | ||
| 196968 | 3327 | 73 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL473186 | 3327 | 73 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10.1021/acs.jmedchem.2c00633 | ||
| 70772974 | 190883 | 6 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 369 | 3 | 2 | 3 | 3.8 | Cc1c(C(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]c1-c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL5193649 | 190883 | 6 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 369 | 3 | 2 | 3 | 3.8 | Cc1c(C(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]c1-c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | nan | ||
| 242 | 467 | 117 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
| 34 | 467 | 117 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
| 60795 | 467 | 117 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL1112 | 467 | 117 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
| DB01238 | 467 | 117 | None | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2016.05.053 | ||
| 11393666 | 192374 | 0 | None | 1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5201983 | 192374 | 0 | None | 1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5222597 | 192374 | 0 | None | 1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| 11978813 | 712 | 72 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
| 5014 | 712 | 72 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
| 7672 | 712 | 72 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
| CHEMBL2105760 | 712 | 72 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
| DB09128 | 712 | 72 | None | -2 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | 10.1016/j.ejmech.2019.111736 | ||
| 11465618 | 101913 | 18 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL3039528 | 101913 | 18 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5191141 | 101913 | 18 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| 23151734 | 103468 | 0 | None | 467 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 265 | 1 | 2 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092758 | 103468 | 0 | None | 467 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 265 | 1 | 2 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 11687730 | 120061 | 0 | None | 9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 1 | 2 | 1 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343668 | 120061 | 0 | None | 9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 1 | 2 | 1 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545816 | 120061 | 0 | None | 9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 1 | 2 | 1 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 71528206 | 86529 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL2323581 | 86529 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 314 | 3 | 0 | 4 | 2.8 | COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 56597938 | 3865 | 1 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm300603y | ||
| 7651 | 3865 | 1 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm300603y | ||
| CHEMBL2165126 | 3865 | 1 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm300603y | ||
| 56597090 | 81557 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 7 | 0 | 4 | 6.6 | Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl | 10.1021/jm300603y | ||
| CHEMBL2165137 | 81557 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 7 | 0 | 4 | 6.6 | Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl | 10.1021/jm300603y | ||
| 56597938 | 3865 | 1 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 7651 | 3865 | 1 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL2165126 | 3865 | 1 | None | 2 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 118706290 | 120009 | 0 | None | 128 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310116 | 120009 | 0 | None | 128 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545468 | 120009 | 0 | None | 128 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 118706734 | 120002 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 2 | 3 | 2 | 1.9 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310714 | 120002 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 2 | 3 | 2 | 1.9 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545444 | 120002 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 2 | 3 | 2 | 1.9 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
| 150 | 2463 | 18 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| 1764 | 2463 | 18 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| 8226 | 2463 | 18 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| CHEMBL1201356 | 2463 | 18 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| DB00353 | 2463 | 18 | None | 1 | 16 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1021/jm100600y | ||
| 118706282 | 120006 | 0 | None | 17 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310111 | 120006 | 0 | None | 17 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545465 | 120006 | 0 | None | 17 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.5 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| 118706299 | 120013 | 0 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 269 | 1 | 3 | 2 | 2.3 | N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310121 | 120013 | 0 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 269 | 1 | 3 | 2 | 2.3 | N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545472 | 120013 | 0 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 269 | 1 | 3 | 2 | 2.3 | N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 118706284 | 120000 | 0 | None | 31 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 285 | 1 | 3 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310112 | 120000 | 0 | None | 31 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 285 | 1 | 3 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545440 | 120000 | 0 | None | 31 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 285 | 1 | 3 | 2 | 1.3 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 150 | 2463 | 18 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| 1764 | 2463 | 18 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| 8226 | 2463 | 18 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| CHEMBL1201356 | 2463 | 18 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| DB00353 | 2463 | 18 | None | 1 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | nan | ||
| 71528205 | 86528 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL2323580 | 86528 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 5 | 1 | 4 | 2.2 | CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 71528204 | 86527 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL2323579 | 86527 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 11358099 | 179815 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 285 | 3 | 1 | 4 | 2.8 | COc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4752099 | 179815 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 285 | 3 | 1 | 4 | 2.8 | COc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 11460460 | 181770 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.5 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4784845 | 181770 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.5 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 9954003 | 71341 | 18 | None | -1 | 9 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 422 | 5 | 2 | 4 | 3.8 | C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O | 10.1021/jm070516u | ||
| CHEMBL196514 | 71341 | 18 | None | -1 | 9 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 422 | 5 | 2 | 4 | 3.8 | C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O | 10.1021/jm070516u | ||
| 16062782 | 97371 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 307 | 2 | 1 | 3 | 3.8 | Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL272082 | 97371 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 307 | 2 | 1 | 3 | 3.8 | Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 59757163 | 105848 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092760 | 105848 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139189 | 105848 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 118706732 | 120003 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 295 | 1 | 3 | 2 | 1.6 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310713 | 120003 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 295 | 1 | 3 | 2 | 1.6 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545445 | 120003 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 295 | 1 | 3 | 2 | 1.6 | Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O | 10.1016/j.bmc.2014.05.027 | ||
| 56593482 | 3866 | 1 | None | 1 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 7650 | 3866 | 1 | None | 1 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL2165119 | 3866 | 1 | None | 1 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 10568771 | 102303 | 2 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
| CHEMBL305275 | 102303 | 2 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
| CHEMBL6710 | 102303 | 2 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
| 242 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
| 34 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
| 60795 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
| CHEMBL1112 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
| DB01238 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/jm070516u | ||
| 11658860 | 2302 | 47 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
| 2941 | 2302 | 47 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
| 4374 | 2302 | 47 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL360328 | 2302 | 47 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
| DB04871 | 2302 | 47 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2012.10.091 | ||
| 37 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
| 460 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
| 54746 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
| CHEMBL1201087 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
| DB00248 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1021/ml3003814 | ||
| 242 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 34 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 60795 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL1112 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| DB01238 | 467 | 117 | None | -1 | 52 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 118706278 | 119999 | 0 | None | 26 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310109 | 119999 | 0 | None | 26 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545439 | 119999 | 0 | None | 26 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 2865 | 4064 | 67 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
| 59 | 4064 | 67 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
| 60854 | 4064 | 67 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL708 | 4064 | 67 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
| DB00246 | 4064 | 67 | None | -12 | 54 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1021/jm070516u | ||
| 9888211 | 21201 | 9 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 417 | 6 | 1 | 3 | 4.5 | O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070516u | ||
| CHEMBL131495 | 21201 | 9 | None | -1 | 10 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 417 | 6 | 1 | 3 | 4.5 | O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070516u | ||
| 10568771 | 102303 | 2 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
| CHEMBL305275 | 102303 | 2 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
| CHEMBL6710 | 102303 | 2 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm980076u | ||
| 10017554 | 4260 | 25 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm9803525 | ||
| CHEMBL101008 | 4260 | 25 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 2.2 | CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 | 10.1021/jm9803525 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/acs.jmedchem.6b01422 | ||
| 118706285 | 112376 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310113 | 112376 | 0 | None | 2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| 135399866 | 71696 | 2 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
| CHEMBL197653 | 71696 | 2 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | C[C@H](N)Cn1ncc2ccc(O)c(F)c21 | 10.1021/jm050663x | ||
| 118464429 | 166553 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4290245 | 166553 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 1 | 3 | 5 | 2.6 | NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 127048333 | 140136 | 0 | None | 38 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3815112 | 140136 | 0 | None | 38 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 118706280 | 120005 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310110 | 120005 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545464 | 120005 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 118717220 | 120056 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 305 | 1 | 2 | 1 | 2.9 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343669 | 120056 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 305 | 1 | 2 | 1 | 2.9 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545811 | 120056 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 305 | 1 | 2 | 1 | 2.9 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 72734860 | 103467 | 0 | None | 6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092753 | 103467 | 0 | None | 6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 11277147 | 105847 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092759 | 105847 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139188 | 105847 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 11277147 | 105847 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3092759 | 105847 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3139188 | 105847 | 0 | None | 9 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.ejmech.2019.111736 | ||
| 206 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/S0960-894X(96)00503-3 | ||
| 68848 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL12314 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/S0960-894X(96)00503-3 | ||
| 192 | 3433 | 46 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10.1021/jm990388c | ||
| 443390 | 3433 | 46 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10.1021/jm990388c | ||
| CHEMBL14276 | 3433 | 46 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10.1021/jm990388c | ||
| 10573762 | 98314 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2 | 10.1021/jm990388c | ||
| CHEMBL278267 | 98314 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2 | 10.1021/jm990388c | ||
| 10670813 | 162029 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 5.9 | CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1 | 10.1021/jm990388c | ||
| CHEMBL416896 | 162029 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 4 | 1 | 3 | 5.9 | CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1 | 10.1021/jm990388c | ||
| 44397929 | 66830 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL187739 | 66830 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 10808965 | 99854 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.8 | CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| CHEMBL289436 | 99854 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.8 | CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| 46230098 | 197639 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590580 | 197639 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1cccc2c1C(=O)NC1CCNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| 18931422 | 205650 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 8 | 2 | 5 | 3.4 | COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL93862 | 205650 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 8 | 2 | 5 | 3.4 | COc1ccc(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| 10740494 | 34898 | 0 | None | -12 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14345 | 34898 | 0 | None | -12 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 10764263 | 40630 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14863 | 40630 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
| 10740495 | 98163 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
| CHEMBL277111 | 98163 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 4.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
| 122178705 | 120844 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581250 | 120844 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 59395105 | 105846 | 1 | None | 4 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 252 | 1 | 3 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092755 | 105846 | 1 | None | 4 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 252 | 1 | 3 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139187 | 105846 | 1 | None | 4 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 252 | 1 | 3 | 1 | 1.7 | NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
| 118729272 | 120185 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402680 | 120185 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547158 | 120185 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 44214724 | 193306 | 0 | None | -19 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL54707 | 193306 | 0 | None | -19 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cnccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.1c00726 | ||
| 24841480 | 183307 | 0 | None | -50 | 20 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183307 | 0 | None | -50 | 20 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 193 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
| 3644637 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
| CHEMBL14563 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
| 194 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
| 443391 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
| CHEMBL14460 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm990388c | ||
| 193 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
| 3644637 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL14563 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
| 194 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
| 443391 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL14460 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/j.bmcl.2005.08.004 | ||
| 193 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
| 3644637 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL14563 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
| 194 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
| 443391 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL14460 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10.1016/s0960-894x(00)00364-4 | ||
| 44298230 | 192990 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 492 | 3 | 1 | 4 | 6.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL53152 | 192990 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 492 | 3 | 1 | 4 | 6.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298022 | 193875 | 0 | None | -63 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.8 | CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55472 | 193875 | 0 | None | -63 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.8 | CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 18931133 | 167457 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL432217 | 167457 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| 145977338 | 163154 | 0 | None | 19 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 3 | 2 | 4 | 2.2 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4205064 | 163154 | 0 | None | 19 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 3 | 2 | 4 | 2.2 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 | 10.1021/acs.jnatprod.7b00317 | ||
| 145963830 | 163560 | 0 | None | 7 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4209942 | 163560 | 0 | None | 7 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 335 | 4 | 2 | 4 | 4.0 | Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(c2ccccc2)S1 | 10.1021/acs.jnatprod.7b00317 | ||
| 193 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm970424c | ||
| 3644637 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm970424c | ||
| CHEMBL14563 | 3437 | 38 | None | -707 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 10.1021/jm970424c | ||
| 11419526 | 87614 | 0 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234533 | 87614 | 0 | None | -100 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 16215237 | 87733 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234738 | 87733 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 10503674 | 98356 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL278685 | 98356 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2 | 10.1021/jm990388c | ||
| 9813197 | 96075 | 5 | None | -11 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 215 | 0 | 1 | 1 | 2.7 | Clc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL262862 | 96075 | 5 | None | -11 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 215 | 0 | 1 | 1 | 2.7 | Clc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 25122651 | 198555 | 0 | None | -23 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm901674f | ||
| CHEMBL597002 | 198555 | 0 | None | -23 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm901674f | ||
| 67268994 | 163405 | 2 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 247 | 1 | 2 | 2 | 2.4 | Clc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| CHEMBL4207884 | 163405 | 2 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 247 | 1 | 2 | 2 | 2.4 | Clc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| 44298108 | 100444 | 0 | None | -39 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL293937 | 100444 | 0 | None | -39 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 44298092 | 101486 | 0 | None | -19 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 4 | 1 | 5 | 4.7 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL301409 | 101486 | 0 | None | -19 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 4 | 1 | 5 | 4.7 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 162663486 | 181407 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2cccc(C(F)(F)F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4780527 | 181407 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2cccc(C(F)(F)F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| 162672422 | 182589 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4795598 | 182589 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
| 24888181 | 79699 | 0 | None | -158 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL213272 | 79699 | 0 | None | -158 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 24887525 | 79944 | 0 | None | -199 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL214398 | 79944 | 0 | None | -199 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 9888494 | 97706 | 0 | None | -446 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.6 | O=C1c2ccccc2CCCN1CCN1CCC(n2c(O)nc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(03)00077-5 | ||
| CHEMBL273921 | 97706 | 0 | None | -446 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.6 | O=C1c2ccccc2CCCN1CCN1CCC(n2c(O)nc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(03)00077-5 | ||
| 11168182 | 3465 | 18 | None | -158 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | ||
| 264 | 3465 | 18 | None | -158 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | ||
| CHEMBL1181770 | 3465 | 18 | None | -158 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 511 | 14 | 1 | 3 | 6.5 | CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C | 10.1016/j.bmcl.2005.06.024 | ||
| 6918648 | 101076 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
| CHEMBL29846 | 101076 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
| 145972374 | 164111 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4216860 | 164111 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
| 136054961 | 57006 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651091 | 57006 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
| 153287535 | 174318 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 219 | 0 | 1 | 3 | 2.0 | CN1CC[C@H]2c3ccc(O)cc3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4564308 | 174318 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 219 | 0 | 1 | 3 | 2.0 | CN1CC[C@H]2c3ccc(O)cc3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| 23462894 | 156677 | 3 | None | -15 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 240 | 1 | 0 | 3 | 2.3 | CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL407636 | 156677 | 3 | None | -15 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 240 | 1 | 0 | 3 | 2.3 | CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1 | 10.1016/j.bmc.2007.12.009 | ||
| 9934284 | 89851 | 0 | None | -2511 | 10 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
| CHEMBL238520 | 89851 | 0 | None | -2511 | 10 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 4.5 | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
| 76325517 | 105239 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 1 | 4 | 3.3 | O=c1cc(CCc2cccs2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| CHEMBL3126302 | 105239 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 1 | 4 | 3.3 | O=c1cc(CCc2cccs2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| 118278480 | 121484 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| CHEMBL3593950 | 121484 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| 44453877 | 155064 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL404582 | 155064 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(-c3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 44298151 | 100385 | 0 | None | -31 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL293597 | 100385 | 0 | None | -31 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| 44298158 | 192896 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL52783 | 192896 | 0 | None | -12 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.3 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| 6918648 | 101076 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1016/s0960-894x(02)00172-5 | ||
| CHEMBL29846 | 101076 | 1 | None | -1621 | 14 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 | 10.1016/s0960-894x(02)00172-5 | ||
| 3233 | 3443 | 40 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
| 3247 | 3443 | 40 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
| 6604889 | 3443 | 40 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
| CHEMBL282199 | 3443 | 40 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
| DB13988 | 3443 | 40 | None | -165 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O | 10.1021/jm991151j | ||
| 16063047 | 94926 | 0 | None | -77 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL256811 | 94926 | 0 | None | -77 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 122483292 | 137570 | 0 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.5 | O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3764335 | 137570 | 0 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.5 | O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3765876 | 137570 | 0 | None | -3 | 7 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.5 | O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
| 141 | 1394 | 32 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
| 6089 | 1394 | 32 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
| CHEMBL12420 | 1394 | 32 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
| DB01488 | 1394 | 32 | None | -1 | 22 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | 10.1021/jm980692q | ||
| 136054961 | 57006 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/np100588c | ||
| CHEMBL1651091 | 57006 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 2 | 4 | 1.6 | NC(=O)c1csc(-c2ccccc2O)n1 | 10.1021/np100588c | ||
| 73213196 | 103968 | 1 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
| CHEMBL3104093 | 103968 | 1 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
| 73213196 | 103968 | 1 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 103968 | 1 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 73213196 | 103968 | 1 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 103968 | 1 | None | 1 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 142601343 | 185011 | 0 | None | -36 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4863868 | 185011 | 0 | None | -36 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 71455083 | 81404 | 0 | None | -173 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| CHEMBL2164354 | 81404 | 0 | None | -173 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| 2520 | 202301 | 65 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1280 | 202301 | 65 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL6966 | 202301 | 65 | None | -4 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 118055295 | 177488 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 242 | 0 | 1 | 2 | 2.2 | FC(F)(F)c1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4647417 | 177488 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 242 | 0 | 1 | 2 | 2.2 | FC(F)(F)c1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 11324968 | 90640 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397880 | 90640 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 168285382 | 190914 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5194057 | 190914 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 44582707 | 186405 | 0 | None | -8 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 10 | 0 | 6 | 4.1 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL490634 | 186405 | 0 | None | -8 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 10 | 0 | 6 | 4.1 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 13091359 | 113027 | 0 | None | -1479 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL3321790 | 113027 | 0 | None | -1479 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
| 53251189 | 130359 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 452 | 5 | 3 | 7 | 5.1 | Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 | nan | ||
| CHEMBL3685796 | 130359 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 452 | 5 | 3 | 7 | 5.1 | Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 | nan | ||
| 135367405 | 163633 | 0 | None | -2 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 1 | 2 | 2 | 2.1 | Cc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| CHEMBL4210782 | 163633 | 0 | None | -2 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 1 | 2 | 2 | 2.1 | Cc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| 122179556 | 120961 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 303 | 2 | 0 | 3 | 4.5 | FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2C1CC1 | nan | ||
| CHEMBL3582461 | 120961 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 303 | 2 | 0 | 3 | 4.5 | FC(F)(F)c1ccc2c(c1)nc(-c1cccnc1)n2C1CC1 | nan | ||
| 15560577 | 184749 | 6 | None | 1 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL4859858 | 184749 | 6 | None | 1 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 123683 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
| 422 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
| CHEMBL119709 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
| DB05511 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm501021n | ||
| 123683 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| 422 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL119709 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| DB05511 | 3060 | 58 | None | -12302 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| 16115652 | 83064 | 0 | None | -27 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL220211 | 83064 | 0 | None | -27 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 286 | 1 | 1 | 3 | 1.8 | COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 71061724 | 145007 | 0 | None | 1 | 5 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
| CHEMBL3915107 | 145007 | 0 | None | 1 | 5 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
| 10660 | 14283 | 55 | None | -29 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14283 | 55 | None | -29 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 134138168 | 147146 | 0 | None | 1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 275 | 4 | 0 | 2 | 4.1 | COc1ccccc1-c1cc(CN(C)C)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||
| CHEMBL3931889 | 147146 | 0 | None | 1 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 275 | 4 | 0 | 2 | 4.1 | COc1ccccc1-c1cc(CN(C)C)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||
| 44397832 | 122580 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.4 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL361079 | 122580 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.4 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| 118706287 | 120007 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310114 | 120007 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545466 | 120007 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 1 | 3 | 2 | 1.8 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 10131066 | 21388 | 0 | None | -54 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.4 | CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| CHEMBL131736 | 21388 | 0 | None | -54 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.4 | CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| 134141831 | 146142 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3923870 | 146142 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 6 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 45486902 | 195261 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL566396 | 195261 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| 118729270 | 120177 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402678 | 120177 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547139 | 120177 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 145965628 | 163484 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4208914 | 163484 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 146025727 | 171109 | 0 | None | -40 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4466483 | 171109 | 0 | None | -40 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 132060743 | 161674 | 0 | None | -4 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4163428 | 161674 | 0 | None | -4 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 10541003 | 102631 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2 | 10.1021/jm980076u | ||
| CHEMBL307770 | 102631 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@H]3CO2 | 10.1021/jm980076u | ||
| 136118640 | 75950 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058700 | 75950 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 21044391 | 76263 | 0 | None | -21 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 4 | 0.3 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL206386 | 76263 | 0 | None | -21 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 4 | 0.3 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 2333 | 141791 | 91 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
| CHEMBL388590 | 141791 | 91 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | nan | ||
| 11313985 | 90638 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397878 | 90638 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 18715561 | 72682 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201062 | 72682 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cccnc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 46914774 | 15253 | 0 | None | 21 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| CHEMBL1215037 | 15253 | 0 | None | 21 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| 16115269 | 137588 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| CHEMBL376676 | 137588 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| 21786603 | 134327 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 1.7 | CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL371899 | 134327 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 1.7 | CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1 | 10.1016/j.bmcl.2005.06.104 | ||
| 127051592 | 140334 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818710 | 140334 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819742 | 140334 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 2771 | 193337 | 67 | None | 1 | 27 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL1200781 | 193337 | 67 | None | 1 | 27 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL549 | 193337 | 67 | None | 1 | 27 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| 127051592 | 140334 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818710 | 140334 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819742 | 140334 | 0 | None | -51 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 5 | 0 | 2 | 3.4 | [O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 104903 | 56035 | 14 | None | -4 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL1630578 | 56035 | 14 | None | -4 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| 58911534 | 90664 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397904 | 90664 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 2723 | 153500 | 104 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
| CHEMBL398440 | 153500 | 104 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | nan | ||
| 1379258 | 67438 | 13 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL1909050 | 67438 | 13 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.1 | Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 16754 | 85134 | 43 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 4 | 0 | 5 | 3.5 | COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL228082 | 85134 | 43 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 4 | 0 | 5 | 3.5 | COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL5081379 | 212964 | 0 | None | -1 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 58405183 | 110195 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 339 | 6 | 1 | 3 | 3.9 | FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1 | 10.1021/ml500082j | ||
| CHEMBL3260336 | 110195 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 339 | 6 | 1 | 3 | 3.9 | FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1 | 10.1021/ml500082j | ||
| 11380477 | 179092 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.7 | CC(C)n1nc2c(c1-c1ccc(C#N)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4743582 | 179092 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.7 | CC(C)n1nc2c(c1-c1ccc(C#N)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2005.10.029 | ||
| 10198431 | 73542 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201930 | 73542 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
| 11625624 | 112576 | 0 | None | -17 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 4 | 8 | 0.9 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL331291 | 112576 | 0 | None | -17 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 4 | 8 | 0.9 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1016/j.bmcl.2013.12.024 | ||
| 10741816 | 97725 | 0 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL274066 | 97725 | 0 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2 | 10.1021/jm990388c | ||
| 10549658 | 97818 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2 | 10.1021/jm990388c | ||
| CHEMBL274692 | 97818 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2 | 10.1021/jm990388c | ||
| 18475509 | 101464 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 2 | 2 | 3 | 3.9 | CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL301209 | 101464 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 2 | 2 | 3 | 3.9 | CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
| 191 | 3429 | 47 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970741j | ||
| 443389 | 3429 | 47 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970741j | ||
| CHEMBL276140 | 3429 | 47 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970741j | ||
| 44298172 | 101288 | 0 | None | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL299938 | 101288 | 0 | None | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cncnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298163 | 193720 | 0 | None | -25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55207 | 193720 | 0 | None | -25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 191 | 3429 | 47 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970424c | ||
| 443389 | 3429 | 47 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970424c | ||
| CHEMBL276140 | 3429 | 47 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 10.1021/jm970424c | ||
| 9887537 | 83913 | 38 | None | -15 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 0 | 5 | 4.0 | Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 | 10.1021/jm070516u | ||
| CHEMBL221692 | 83913 | 38 | None | -15 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 0 | 5 | 4.0 | Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 | 10.1021/jm070516u | ||
| CHEMBL4751170 | 83913 | 38 | None | -15 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 4 | 0 | 5 | 4.0 | Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 | 10.1021/jm070516u | ||
| 44298246 | 193926 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 397 | 4 | 1 | 5 | 4.0 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55597 | 193926 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 397 | 4 | 1 | 5 | 4.0 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 56658155 | 65317 | 0 | None | 13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834252 | 65317 | 0 | None | 13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
| 145972796 | 164033 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 3 | 2 | 4 | 2.0 | CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4215741 | 164033 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 3 | 2 | 4 | 2.0 | CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 | 10.1021/acs.jnatprod.7b00317 | ||
| 71212556 | 143018 | 0 | None | -24 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 433 | 3 | 1 | 6 | 4.6 | Cc1ccc2c(c1)Oc1sc(Cl)cc1C(N1CCN(CC(C)(C)C(=O)O)CC1)=N2 | nan | ||
| CHEMBL3899169 | 143018 | 0 | None | -24 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 433 | 3 | 1 | 6 | 4.6 | Cc1ccc2c(c1)Oc1sc(Cl)cc1C(N1CCN(CC(C)(C)C(=O)O)CC1)=N2 | nan | ||
| 155561439 | 175083 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | ||
| CHEMBL4581568 | 175083 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | ||
| 44404899 | 70074 | 2 | None | -70 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 190 | 2 | 2 | 2 | 1.9 | CN(C)Cc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL194588 | 70074 | 2 | None | -70 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 190 | 2 | 2 | 2 | 1.9 | CN(C)Cc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 44404904 | 132477 | 1 | None | -11 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 1.9 | CN(C)Cc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL370221 | 132477 | 1 | None | -11 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 1.9 | CN(C)Cc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 127050699 | 140328 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819082 | 140328 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819726 | 140328 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
| 117209918 | 185818 | 1 | None | -3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4876036 | 185818 | 1 | None | -3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
| 135508617 136016503 | 10515 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL1170237 | 10515 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 9869628 | 71684 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.8 | COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL197630 | 71684 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.8 | COc1cc2c(cc1OCCN1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
| 10127968 | 71860 | 0 | None | -15 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198109 | 71860 | 0 | None | -15 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 10479409 | 77694 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL210007 | 77694 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 49850874 | 56153 | 0 | None | -398 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 1 | 4 | 5.2 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1632210 | 56153 | 0 | None | -398 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 1 | 4 | 5.2 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 44298243 | 100182 | 0 | None | -100 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL292228 | 100182 | 0 | None | -100 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298254 | 192930 | 0 | None | -50 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.8 | CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL52919 | 192930 | 0 | None | -50 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.8 | CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 22619858 | 197386 | 0 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL58765 | 197386 | 0 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 18931348 | 104249 | 0 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 2 | 6 | 1.7 | COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL310656 | 104249 | 0 | None | -39 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 2 | 6 | 1.7 | COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c1 | 10.1016/S0960-894X(96)00503-3 | ||
| 44324011 | 111108 | 0 | None | -12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 11 | 3 | 8 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL328375 | 111108 | 0 | None | -12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 11 | 3 | 8 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 148302367 | 172939 | 0 | None | 15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2cc(-c3ccccc3)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4530979 | 172939 | 0 | None | 15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 267 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2cc(-c3ccccc3)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 149396365 | 175421 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 3.5 | C[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4589450 | 175421 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 3.5 | C[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 44430976 | 87599 | 0 | None | -50 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC(C)C1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234492 | 87599 | 0 | None | -50 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC(C)C1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11236301 | 87612 | 0 | None | -63 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.9 | COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234531 | 87612 | 0 | None | -63 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.9 | COc1ccc(N2Cc3c(F)c(F)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11475519 | 151531 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL396747 | 151531 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 44430979 | 152646 | 0 | None | -19 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.8 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL397709 | 152646 | 0 | None | -19 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.8 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@@H](C)CCC[C@H]1C | 10.1016/j.bmcl.2006.10.029 | ||
| 162654275 | 180088 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4755344 | 180088 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 5 | 1 | 4 | 3.7 | COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| 10287730 | 3467 | 36 | None | -1584 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
| 77 | 3467 | 36 | None | -1584 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
| CHEMBL425190 | 3467 | 36 | None | -1584 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
| 10217208 | 71854 | 0 | None | -125 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198097 | 71854 | 0 | None | -125 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 44404608 | 71893 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 2.7 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCO | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198192 | 71893 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 2.7 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCO | 10.1016/j.bmcl.2005.08.004 | ||
| 10309622 | 140830 | 0 | None | -1000 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 7 | 0 | 4 | 4.0 | COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL383800 | 140830 | 0 | None | -1000 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 7 | 0 | 4 | 4.0 | COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 44414209 | 80810 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 4 | 4.4 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL215864 | 80810 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 4 | 4.4 | COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 9891002 | 106911 | 0 | None | -1258 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 472 | 4 | 2 | 6 | 4.6 | Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 | 10.1016/s0960-894x(01)00558-3 | ||
| CHEMBL318018 | 106911 | 0 | None | -1258 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 472 | 4 | 2 | 6 | 4.6 | Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 | 10.1016/s0960-894x(01)00558-3 | ||
| 11304596 | 56087 | 0 | None | -7943 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 0 | 5 | 3.9 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1631542 | 56087 | 0 | None | -7943 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 0 | 5 | 3.9 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 9827938 | 11651 | 0 | None | -50 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | ||
| CHEMBL1181680 | 11651 | 0 | None | -50 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | ||
| CHEMBL188486 | 11651 | 0 | None | -50 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 517 | 13 | 1 | 3 | 6.3 | CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 | 10.1016/j.bmcl.2005.06.024 | ||
| 2470 | 3583 | 46 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 3300 | 3583 | 46 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 5265 | 3583 | 46 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 99 | 3583 | 46 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL267930 | 3583 | 46 | None | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 10008294 | 205090 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 12 | 3 | 9 | 2.5 | COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL90467 | 205090 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 12 | 3 | 9 | 2.5 | COc1ccc(S(=O)(=O)Nc2cc(C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 10371119 | 205269 | 0 | None | -794 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 586 | 12 | 3 | 8 | 3.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL91454 | 205269 | 0 | None | -794 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 586 | 12 | 3 | 8 | 3.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 127050699 | 140328 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819082 | 140328 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819726 | 140328 | 0 | None | -14 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 0 | 1 | 4.0 | Fc1ccc2c(c1)CC(CCN1CCc3ccccc3C1)C2 | 10.1016/j.bmc.2016.05.053 | ||
| 122182283 | 121483 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2cccc(O)c2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| CHEMBL3593949 | 121483 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 282 | 3 | 2 | 4 | 3.0 | O=c1cc(CCc2cccc(O)c2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| 9935387 | 98970 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
| CHEMBL282971 | 98970 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
| 9913554 | 100510 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
| CHEMBL29433 | 100510 | 0 | None | -1584 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 491 | 5 | 1 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 | 10.1016/s0960-894x(02)00172-5 | ||
| 136030693 | 57007 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
| CHEMBL1651092 | 57007 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
| 3034396 | 101155 | 33 | None | -20 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL299031 | 101155 | 33 | None | -20 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 1201549 | 590 | 22 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -26 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 118055293 | 176661 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 0 | 1 | 2 | 1.9 | Brc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4635854 | 176661 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 0 | 1 | 2 | 1.9 | Brc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 58911604 | 90661 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397901 | 90661 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2ccc(Cl)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 135846982 | 92609 | 0 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442268 | 92609 | 0 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cc(Br)ccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 5510 | 204127 | 97 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
| CHEMBL83668 | 204127 | 97 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | nan | ||
| 135846955 | 188883 | 4 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)N/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL513803 | 188883 | 4 | None | 7 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)N/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 4122 | 205881 | 102 | None | -3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
| CHEMBL9514 | 205881 | 102 | None | -3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 301 | 3 | 2 | 5 | 3.0 | COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1 | nan | ||
| 71682216 | 90669 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 3 | 1 | 3 | 1.4 | CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397909 | 90669 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 3 | 1 | 3 | 1.4 | CCCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL4754103 | 212270 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CNC(=O)Nc1ccc2c(c1)CC[C@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O | nan | ||||
| 92042876 | 150792 | 0 | None | -2 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 261 | 4 | 1 | 2 | 3.7 | CNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||
| CHEMBL3961059 | 150792 | 0 | None | -2 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 261 | 4 | 1 | 2 | 3.7 | CNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||
| 9920815 | 66898 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL188033 | 66898 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm050663x | ||
| 152 | 361 | 18 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
| 2107 | 361 | 18 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
| CHEMBL275854 | 361 | 18 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm050663x | ||
| 24826790 | 90649 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397889 | 90649 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 46230095 | 197601 | 0 | None | 11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 271 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590333 | 197601 | 0 | None | 11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 271 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCN2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| 127048336 | 140062 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3813855 | 140062 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1021/jm030205t | ||
| 152 | 361 | 18 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm030205t | ||
| 2107 | 361 | 18 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm030205t | ||
| CHEMBL275854 | 361 | 18 | None | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 10.1021/jm030205t | ||
| 9856041 | 23895 | 2 | None | -42 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| CHEMBL133868 | 23895 | 2 | None | -42 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | CC(N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2014.02.029 | ||
| 156013985 | 176591 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.8 | C1=CC2CNCCN3C[C@@H]4CCC[C@@H]4C(=C1)C23 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4634785 | 176591 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.8 | C1=CC2CNCCN3C[C@@H]4CCC[C@@H]4C(=C1)C23 | 10.1016/j.bmcl.2019.126929 | ||
| 45486824 | 195691 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL569251 | 195691 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL5094234 | 213787 | 0 | None | -61 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| CHEMBL5096019 | 213787 | 0 | None | -61 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| CHEMBL5090884 | 213791 | 0 | None | -1 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| CHEMBL5096072 | 213791 | 0 | None | -1 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 24771120 | 183508 | 0 | None | -56 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmcl.2009.03.071 | ||
| CHEMBL482562 | 183508 | 0 | None | -56 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmcl.2009.03.071 | ||
| 136020618 | 163351 | 0 | None | 12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4207302 | 163351 | 0 | None | 12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 135753074 | 190504 | 7 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| CHEMBL5187824 | 190504 | 7 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 2.2 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| 136030693 | 57007 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651092 | 57007 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 222 | 2 | 2 | 4 | 0.7 | NC(=O)C1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
| 11739217 | 136503 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 300 | 2 | 1 | 3 | 2.2 | CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL374660 | 136503 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 300 | 2 | 1 | 3 | 2.2 | CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 16063039 | 155063 | 0 | None | -147 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL404581 | 155063 | 0 | None | -147 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.9 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 1353 | 1872 | 85 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1872 | 85 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1872 | 85 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1872 | 85 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1872 | 85 | None | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL4537673 | 212226 | 24 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1 | nan | ||||
| 44409332 | 76362 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL206618 | 76362 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 162661262 | 181260 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 432 | 6 | 4 | 7 | 2.7 | OC[C@@]12C[C@@H]1[C@@H](n1ccc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/j.bmcl.2020.127599 | ||
| CHEMBL4778636 | 181260 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 432 | 6 | 4 | 7 | 2.7 | OC[C@@]12C[C@@H]1[C@@H](n1ccc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/j.bmcl.2020.127599 | ||
| 1016 | 3678 | 75 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3678 | 75 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3678 | 75 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3678 | 75 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3678 | 75 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3678 | 75 | None | -17 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 71061585 | 159938 | 0 | None | 3 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 367 | 6 | 0 | 5 | 2.8 | Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
| CHEMBL4112090 | 159938 | 0 | None | 3 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 367 | 6 | 0 | 5 | 2.8 | Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
| CHEMBL1909069 | 207322 | 0 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 117209971 | 185893 | 1 | None | -26 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4877051 | 185893 | 1 | None | -26 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 1343 | 1850 | 55 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 1850 | 55 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 1850 | 55 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 1850 | 55 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 1850 | 55 | None | -14 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL4780458 | 212277 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1 | nan | ||||
| 58911681 | 90540 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2396668 | 90540 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
| 136118639 | 75949 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058699 | 75949 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 2337 | 3193 | 72 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3193 | 72 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3193 | 72 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3193 | 72 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3193 | 72 | None | -15 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 71455625 | 82537 | 0 | None | -3388 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 5 | 0 | 4 | 4.4 | CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
| CHEMBL2181170 | 82537 | 0 | None | -3388 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 5 | 0 | 4 | 4.4 | CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
| 44407398 | 74054 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202616 | 74054 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 5.5 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2005.10.029 | ||
| 136030596 | 57005 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
| CHEMBL1651090 | 57005 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/np100588c | ||
| 168277287 | 189547 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 7.8 | CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1 | 10.1021/acs.jmedchem.2c01170 | ||
| CHEMBL5173661 | 189547 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 7.8 | CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1 | 10.1021/acs.jmedchem.2c01170 | ||
| 25123011 | 199498 | 0 | None | -74 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1 | 10.1021/jm901674f | ||
| CHEMBL603483 | 199498 | 0 | None | -74 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 3.5 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1 | 10.1021/jm901674f | ||
| 46230046 | 197557 | 0 | None | 14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 203 | 0 | 2 | 3 | 0.2 | O=C1NC2CNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590077 | 197557 | 0 | None | 14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 203 | 0 | 2 | 3 | 0.2 | O=C1NC2CNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
| 135846958 | 75877 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058408 | 75877 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
| 18715555 | 74011 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202458 | 74011 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 4.1 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2005.10.029 | ||
| 168286940 | 191673 | 0 | None | -691 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 4.0 | CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 | 10.1016/j.ejmech.2022.114246 | ||
| CHEMBL5205903 | 191673 | 0 | None | -691 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 4.0 | CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 | 10.1016/j.ejmech.2022.114246 | ||
| 76518514 | 113025 | 0 | None | -147 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 5.3 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL3321788 | 113025 | 0 | None | -147 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 5.3 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
| 58911582 | 90654 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397894 | 90654 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 59012632 | 87296 | 0 | None | 91 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 2 | 1 | 3 | 4.6 | COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCC3)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337102 | 87296 | 0 | None | 91 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 2 | 1 | 3 | 4.6 | COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCC3)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.10.091 | ||
| 127051482 | 140110 | 0 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3814737 | 140110 | 0 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 127050282 | 140129 | 0 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3815066 | 140129 | 0 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 10353268 | 97308 | 1 | None | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 2 | 2 | 2 | 2.0 | NCCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| CHEMBL27173 | 97308 | 1 | None | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 2 | 2 | 2 | 2.0 | NCCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| 24893978 | 993 | 5 | None | -35 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
| 8872 | 993 | 5 | None | -35 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
| CHEMBL495075 | 993 | 5 | None | -35 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
| 10176869 | 165463 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL425545 | 165463 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.0 | Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 11595191 | 88617 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337488 | 88617 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2364960 | 88617 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N(C)[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 145978819 | 163318 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2cccs2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4206939 | 163318 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2cccs2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 145975226 | 163370 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4207529 | 163370 | 0 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 6 | 3 | 7 | 1.3 | COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(c2ccccc2O)S[C@@H]1C | 10.1021/acs.jnatprod.7b00317 | ||
| 145976983 | 163443 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4208376 | 163443 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.6 | C[C@H]1SC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 136030596 | 57005 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651090 | 57005 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 209 | 2 | 2 | 4 | 1.2 | OC[C@@H]1CSC(c2ccccc2O)=N1 | 10.1021/acs.jnatprod.7b00317 | ||
| 44537940 | 18572 | 0 | None | -18 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 5 | 1 | 6 | 4.5 | O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
| CHEMBL1278001 | 18572 | 0 | None | -18 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 5 | 1 | 6 | 4.5 | O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
| 16115513 | 135866 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL373531 | 135866 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 136118732 | 75878 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058409 | 75878 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2c(Br)cccc12 | 10.1016/j.bmc.2013.09.011 | ||
| 122187383 | 122501 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(CC1CC1)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609148 | 122501 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(CC1CC1)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 72549033 | 110191 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 0 | 5 | 3.3 | CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1 | 10.1021/ml500045k | ||
| CHEMBL3260311 | 110191 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 0 | 5 | 3.3 | CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1 | 10.1021/ml500045k | ||
| 155536080 | 171538 | 0 | None | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4472703 | 171538 | 0 | None | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 142601333 | 185171 | 0 | None | -63 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4866412 | 185171 | 0 | None | -63 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 71062646 | 148999 | 0 | None | -2398 | 13 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
| CHEMBL3946661 | 148999 | 0 | None | -2398 | 13 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
| 56675412 | 65320 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.2 | c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834255 | 65320 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.2 | c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| 134141050 | 146759 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.4 | O=C(O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3928983 | 146759 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.4 | O=C(O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 21302483 | 87297 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 0 | 1 | 3 | 2.4 | c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337103 | 87297 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 0 | 1 | 3 | 2.4 | c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCCS2 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL5094680 | 213724 | 0 | None | 3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCCNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 46914487 | 15221 | 0 | None | 144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| CHEMBL1214830 | 15221 | 0 | None | 144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| 71461603 | 78114 | 1 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL2112055 | 78114 | 1 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| 2585 | 788 | 100 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 788 | 100 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 788 | 100 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 788 | 100 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 788 | 100 | None | -18 | 22 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 2389 | 3267 | 114 | None | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3267 | 114 | None | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3267 | 114 | None | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3267 | 114 | None | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3267 | 114 | None | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 135520431 | 72249 | 9 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL199385 | 72249 | 9 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 177 | 2 | 2 | 4 | 0.7 | NCCn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 24873257 | 179666 | 0 | None | 10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.2 | c1ccc(-c2c3c(nn2-c2ccccc2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4750414 | 179666 | 0 | None | 10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 1 | 3 | 3.2 | c1ccc(-c2c3c(nn2-c2ccccc2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 168274008 | 189592 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5174366 | 189592 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 134143752 | 150104 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3955519 | 150104 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 134143752 | 150104 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL3955519 | 150104 | 0 | None | 3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 7 | 3 | 9 | 1.9 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 10550406 | 31722 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14076 | 31722 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2 | 10.1021/jm990388c | ||
| 10718089 | 98091 | 0 | None | -31 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 5.4 | COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1 | 10.1021/jm990388c | ||
| CHEMBL276571 | 98091 | 0 | None | -31 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 5.4 | COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1 | 10.1021/jm990388c | ||
| 10767350 | 98572 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 4 | 1 | 3 | 7.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL280297 | 98572 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 489 | 4 | 1 | 3 | 7.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 18475610 | 195111 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 2 | 3 | 4.5 | COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL56557 | 195111 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 2 | 3 | 4.5 | COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl | 10.1016/s0960-894x(01)00343-2 | ||
| 10714852 | 162588 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 4 | 1 | 3 | 5.2 | CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| CHEMBL41792 | 162588 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 4 | 1 | 3 | 5.2 | CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| 44298082 | 193284 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL54484 | 193284 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ncccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 118055289 | 177315 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.7 | Cc1cc2c3c(c1Cl)C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4644872 | 177315 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.7 | Cc1cc2c3c(c1Cl)C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 10421236 | 188137 | 1 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 226 | 1 | 3 | 4 | 1.9 | Nc1nccc(-c2c[nH]c3cccc(O)c23)n1 | 10.1016/j.bmc.2011.08.033 | ||
| CHEMBL50498 | 188137 | 1 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 226 | 1 | 3 | 4 | 1.9 | Nc1nccc(-c2c[nH]c3cccc(O)c23)n1 | 10.1016/j.bmc.2011.08.033 | ||
| 135367857 | 164041 | 0 | None | -9 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 228 | 1 | 1 | 3 | 2.3 | Cc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| CHEMBL4215875 | 164041 | 0 | None | -9 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 228 | 1 | 1 | 3 | 2.3 | Cc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| 145967795 | 164260 | 0 | None | 5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2ccsc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4218679 | 164260 | 0 | None | 5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 213 | 2 | 1 | 4 | 2.0 | C[C@@H]1SC(c2ccsc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 136259032 | 164077 | 16 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 205 | 2 | 1 | 4 | 2.3 | O=Cc1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4216337 | 164077 | 16 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 205 | 2 | 1 | 4 | 2.3 | O=Cc1csc(-c2ccccc2O)n1 | 10.1021/acs.jnatprod.7b00317 | ||
| 732268 | 137755 | 28 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL3770837 | 137755 | 28 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 1 | 3 | 5 | 2.0 | NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 127051843 | 140207 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818200 | 140207 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 1222 | 1626 | 44 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
| 3396 | 1626 | 44 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
| 85 | 1626 | 44 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
| CHEMBL46516 | 1626 | 44 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
| DB04842 | 1626 | 44 | None | -52 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm100600y | ||
| 2801 | 161313 | 56 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161313 | 56 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161313 | 56 | None | -3 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 127051843 | 140207 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818200 | 140207 | 0 | None | -6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 3.6 | N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 155543832 | 172630 | 0 | None | -134 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4522864 | 172630 | 0 | None | -134 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| 11952353 | 198168 | 0 | None | -10 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL594469 | 198168 | 0 | None | -10 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 | 10.1016/j.bmcl.2009.10.112 | ||
| 168274751 | 190034 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5181312 | 190034 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 11302765 | 83818 | 2 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL221113 | 83818 | 2 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.4 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 10235 | 2626 | 1 | None | -61 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 6 | 4 | 8 | 2.1 | OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1 | 10.1021/acs.jmedchem.8b01662 | ||
| 137553161 | 2626 | 1 | None | -61 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 6 | 4 | 8 | 2.1 | OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1 | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4470080 | 2626 | 1 | None | -61 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 6 | 4 | 8 | 2.1 | OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1 | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4545807 | 212231 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | Cn1c(-c2csc(C3CCN(CC4=NC5N=CC=CC5N4)CC3)n2)nc2ccccc21 | nan | ||||
| 56645363 | 120963 | 7 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | nan | ||
| CHEMBL3582478 | 120963 | 7 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | nan | ||
| 136118650 | 75955 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058705 | 75955 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 44581972 | 175017 | 0 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458001 | 175017 | 0 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 136020620 | 57011 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 219 | 2 | 1 | 4 | 2.6 | Cc1sc(-c2ccccc2O)nc1C=O | 10.1021/np100588c | ||
| CHEMBL1651096 | 57011 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 219 | 2 | 1 | 4 | 2.6 | Cc1sc(-c2ccccc2O)nc1C=O | 10.1021/np100588c | ||
| 142601325 | 185277 | 0 | None | -3 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.9 | c1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4868035 | 185277 | 0 | None | -3 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.9 | c1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 16117151 | 59756 | 0 | None | -154 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1642882 | 59756 | 0 | None | -154 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1739102 | 59756 | 0 | None | -154 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| 25263297 | 183745 | 0 | None | -19 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 2.7 | NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12 | 10.1016/j.bmcl.2009.03.071 | ||
| CHEMBL484345 | 183745 | 0 | None | -19 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 2.7 | NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12 | 10.1016/j.bmcl.2009.03.071 | ||
| 53483975 | 65268 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1833977 | 65268 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| 1605 | 2300 | 110 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 3957 | 2300 | 110 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 7216 | 2300 | 110 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| CHEMBL998 | 2300 | 110 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| DB00455 | 2300 | 110 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 168282554 | 190262 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OC(C)C)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5184659 | 190262 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OC(C)C)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 155530292 | 170918 | 0 | None | -3548 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 5 | 4 | 8 | 1.6 | O=C(NC1CC1)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4463802 | 170918 | 0 | None | -3548 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 5 | 4 | 8 | 1.6 | O=C(NC1CC1)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 10151289 | 133047 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 6 | 0 | 4 | 4.7 | O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL371211 | 133047 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 6 | 0 | 4 | 4.7 | O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2005.08.004 | ||
| 49850872 | 56149 | 0 | None | -630 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 5 | 1 | 4 | 3.9 | CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
| CHEMBL1632206 | 56149 | 0 | None | -630 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 5 | 1 | 4 | 3.9 | CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
| 10830245 | 100941 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 1 | 1 | 2 | 4.6 | CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| CHEMBL297445 | 100941 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 1 | 1 | 2 | 4.6 | CC(C)(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| 10408409 | 192550 | 0 | None | -79 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL52308 | 192550 | 0 | None | -79 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298226 | 194801 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.6 | Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL56336 | 194801 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.6 | Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 153287542 | 168956 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4435237 | 168956 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3c(-c4ccccc4)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 11237290 | 87515 | 0 | None | -199 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 458 | 6 | 0 | 4 | 4.7 | COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234109 | 87515 | 0 | None | -199 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 458 | 6 | 0 | 4 | 4.7 | COc1ccc(N2Cc3cccc(Br)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 10413268 | 152123 | 0 | None | -31 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 453 | 6 | 0 | 5 | 4.9 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL397259 | 152123 | 0 | None | -31 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 453 | 6 | 0 | 5 | 4.9 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 44420682 | 137070 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
| CHEMBL375642 | 137070 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 0 | 0 | 2 | 2.1 | CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1 | 10.1021/jm0612968 | ||
| 162647275 | 178972 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4741776 | 178972 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1 | 10.1016/j.bmcl.2020.127511 | ||
| 10150393 | 71550 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 7 | 0 | 4 | 3.2 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL197170 | 71550 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 7 | 0 | 4 | 3.2 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C | 10.1016/j.bmcl.2005.08.004 | ||
| 10479309 | 79322 | 0 | None | -79 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 0 | 5 | 4.7 | COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL211719 | 79322 | 0 | None | -79 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 0 | 5 | 4.7 | COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1Cl | 10.1016/j.bmcl.2006.05.034 | ||
| 44414217 | 79718 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 7 | 0 | 4 | 6.3 | O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL213368 | 79718 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 7 | 0 | 4 | 6.3 | O=C1C(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.05.034 | ||
| 24887284 | 141202 | 0 | None | -125 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL385921 | 141202 | 0 | None | -125 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 24888183 | 141275 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 7 | 0 | 4 | 4.5 | COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL386332 | 141275 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 7 | 0 | 4 | 4.5 | COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 10296414 | 3462 | 11 | None | -1258 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | ||
| 76 | 3462 | 11 | None | -1258 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | ||
| CHEMBL183460 | 3462 | 11 | None | -1258 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.2 | O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C | 10.1016/j.bmcl.2006.11.031 | ||
| 11248705 | 89850 | 0 | None | -630 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
| CHEMBL238519 | 89850 | 0 | None | -630 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4F)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
| 91826739 | 121486 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.2 | O=c1cc(COCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| CHEMBL3593952 | 121486 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.2 | O=c1cc(COCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| 168271856 | 189957 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5180016 | 189957 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 44572166 | 12339 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
| CHEMBL1186133 | 12339 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
| CHEMBL451232 | 12339 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 199 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl | 10.1021/jm801354e | ||
| 44572751 | 12378 | 1 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL1186509 | 12378 | 1 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL467736 | 12378 | 1 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NC[C@H]1C[C@@H]1c1ccccc1Br | 10.1021/jm801354e | ||
| 127026052 | 137015 | 0 | None | 4 | 19 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3754496 | 137015 | 0 | None | 4 | 19 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 145989551 | 166574 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 4.1 | CN(C)CC/C=C1\c2ccc(F)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4290607 | 166574 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 4.1 | CN(C)CC/C=C1\c2ccc(F)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
| 70687202 | 77609 | 0 | None | -10 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL2096809 | 77609 | 0 | None | -10 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
| 11231392 | 84456 | 0 | None | -13 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL223628 | 84456 | 0 | None | -13 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.6 | CC(C)Oc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 11080 | 28857 | 74 | None | -6 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| CHEMBL1381098 | 28857 | 74 | None | -6 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| 59652086 | 114081 | 0 | None | -85 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 8 | 2 | 6 | 3.6 | COc1cccc(CNC(=O)c2nc3scc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1 | nan | ||
| CHEMBL3337895 | 114081 | 0 | None | -85 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 8 | 2 | 6 | 3.6 | COc1cccc(CNC(=O)c2nc3scc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1 | nan | ||
| 49865833 | 15973 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.2 | O=C(Nc1ccccc1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224036 | 15973 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.2 | O=C(Nc1ccccc1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 14702424 | 18362 | 61 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 176 | 2 | 2 | 2 | 1.6 | COc1ccc2[nH]cc(CN)c2c1 | 10.1021/jm100600y | ||
| CHEMBL1276050 | 18362 | 61 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 176 | 2 | 2 | 2 | 1.6 | COc1ccc2[nH]cc(CN)c2c1 | 10.1021/jm100600y | ||
| 71462776 | 82536 | 0 | None | -134 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| CHEMBL2181169 | 82536 | 0 | None | -134 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| 136118659 | 75887 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058427 | 75887 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 21527771 | 69798 | 0 | None | -645 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.2 | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL1940404 | 69798 | 0 | None | -645 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.2 | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| 134135745 | 143834 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3905850 | 143834 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| 134156506 | 153517 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3984645 | 153517 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 4 | 8 | 1.6 | CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| 58911666 | 90646 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397886 | 90646 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
| 25120700 | 80813 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | ||
| CHEMBL2158704 | 80813 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.0 | COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.02.023 | ||
| 45486820 | 195249 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 3 | 2 | 4 | 3.8 | O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL1237149 | 195249 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 3 | 2 | 4 | 3.8 | O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL566356 | 195249 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 3 | 2 | 4 | 3.8 | O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| 71062768 | 143192 | 0 | None | -4 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL3900699 | 143192 | 0 | None | -4 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
| 3151 | 1429 | 93 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 1429 | 93 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 1429 | 93 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 1429 | 93 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 1429 | 93 | None | -125 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 44409317 | 140814 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL383694 | 140814 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
| 46884102 | 7964 | 0 | None | -912 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 3.7 | CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1091106 | 7964 | 0 | None | -912 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 3.7 | CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 | 10.1016/j.bmcl.2010.01.107 | ||
| 135501716 | 75945 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058695 | 75945 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
| 49783419 | 17552 | 0 | None | -501 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258671 | 17552 | 0 | None | -501 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 118055288 | 176452 | 0 | None | -58 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 3.0 | CC1CN2CCNCc3cc(Cl)c(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4632473 | 176452 | 0 | None | -58 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 3.0 | CC1CN2CCNCc3cc(Cl)c(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 25209356 | 179195 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 544 | 7 | 2 | 8 | 4.0 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL474473 | 179195 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 544 | 7 | 2 | 8 | 4.0 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 127051015 | 140330 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818128 | 140330 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819731 | 140330 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 24826957 | 90672 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397912 | 90672 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 127049983 | 140118 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3814821 | 140118 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 127037093 | 135972 | 0 | None | 40 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3736252 | 135972 | 0 | None | 40 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 0 | 5 | 4.8 | COc1ccc(CCN(CCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 44435193 | 90780 | 0 | None | 1 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 5.6 | CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL240045 | 90780 | 0 | None | 1 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 5.6 | CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL5083607 | 213091 | 0 | None | -14 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | COc1ccccc1-c1cc(C2CCN(C)C2)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||||
| CHEMBL5093342 | 213778 | 0 | None | -19 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| CHEMBL5095971 | 213778 | 0 | None | -19 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 162647063 | 179058 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
| CHEMBL4743059 | 179058 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 6 | 4 | 8 | 1.6 | CC(C)[C@@H](Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
| 162646751 | 179152 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 4 | 9 | 1.7 | CSc1nc(N[C@H](C(C)C)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(CO)C[C@H]34)c2n1 | 10.1016/j.bmcl.2020.127599 | ||
| CHEMBL4744176 | 179152 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 4 | 9 | 1.7 | CSc1nc(N[C@H](C(C)C)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(CO)C[C@H]34)c2n1 | 10.1016/j.bmcl.2020.127599 | ||
| 90469115 | 185250 | 2 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
| CHEMBL4867565 | 185250 | 2 | None | -56 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
| 67978437 | 120152 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402657 | 120152 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547010 | 120152 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 44404887 | 133893 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 8 | 2 | 4 | 3.0 | CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL371753 | 133893 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 8 | 2 | 4 | 3.0 | CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
| 127051015 | 140330 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818128 | 140330 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819731 | 140330 | 0 | None | -63 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 0 | 1 | 4.2 | Fc1ccc(CCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 11652359 | 88685 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337502 | 88685 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365706 | 88685 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 45279963 | 80482 | 48 | None | 21 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | nan | ||
| CHEMBL2152944 | 80482 | 48 | None | 21 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 6 | 3 | 5 | 3.8 | O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 | nan | ||
| 46884101 | 7962 | 0 | None | -87 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1091104 | 7962 | 0 | None | -87 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| 25263302 | 191377 | 0 | None | -134 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1 | 10.1016/j.bmcl.2009.03.071 | ||
| CHEMBL520129 | 191377 | 0 | None | -134 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 4 | 2 | 6 | 3.4 | O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1 | 10.1016/j.bmcl.2009.03.071 | ||
| 44409290 | 74287 | 0 | None | -45 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL203013 | 74287 | 0 | None | -45 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 273 | 4 | 1 | 4 | 1.7 | C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 16117279 | 59805 | 0 | None | -1778 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 3.7 | CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1642886 | 59805 | 0 | None | -1778 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 3.7 | CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1739606 | 59805 | 0 | None | -1778 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 3.7 | CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 | 10.1016/j.bmc.2010.10.033 | ||
| 57799326 | 88665 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 2 | 2 | 1.7 | Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337104 | 88665 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 2 | 2 | 1.7 | Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365468 | 88665 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 2 | 2 | 1.7 | Cc1cc(C2CC2)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 145988693 | 166602 | 0 | None | -7 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4291048 | 166602 | 0 | None | -7 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 153287572 | 172840 | 0 | None | 11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 205 | 1 | 1 | 2 | 2.6 | CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4528651 | 172840 | 0 | None | 11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 205 | 1 | 1 | 2 | 2.6 | CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 49865887 | 15990 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 1 | 1 | 3 | 3.0 | O=C(NC1CCCCC1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224103 | 15990 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 1 | 1 | 3 | 3.0 | O=C(NC1CCCCC1)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 1227 | 2444 | 35 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 2331 | 2444 | 35 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 3957 | 2444 | 35 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 4992 | 2444 | 35 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| CHEMBL511 | 2444 | 35 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| DB06691 | 2444 | 35 | None | -112 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 118055202 | 176610 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.5 | CC1(C)CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4635105 | 176610 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.5 | CC1(C)CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 118055282 | 177430 | 0 | None | -22 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 334 | 1 | 1 | 2 | 3.4 | FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4646572 | 177430 | 0 | None | -22 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 334 | 1 | 1 | 2 | 3.4 | FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 157 | 2030 | 5 | None | -134 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
| 9840090 | 2030 | 5 | None | -134 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
| CHEMBL134519 | 2030 | 5 | None | -134 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm050663x | ||
| 46230049 | 199850 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL605402 | 199850 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| 18715564 | 73018 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201454 | 73018 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 259 | 2 | 1 | 3 | 3.2 | C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 127053028 | 140098 | 0 | None | 8 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3814559 | 140098 | 0 | None | 8 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 127049982 | 140122 | 0 | None | 9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3815000 | 140122 | 0 | None | 9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 0 | 5 | 5.3 | COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 16115517 | 84400 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL223468 | 84400 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 23151712 | 120012 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 266 | 1 | 3 | 2 | 1.1 | NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310120 | 120012 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 266 | 1 | 3 | 2 | 1.1 | NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545471 | 120012 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 266 | 1 | 3 | 2 | 1.1 | NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 157 | 2030 | 5 | None | -134 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm030205t | ||
| 9840090 | 2030 | 5 | None | -134 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm030205t | ||
| CHEMBL134519 | 2030 | 5 | None | -134 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/jm030205t | ||
| 49862237 | 14823 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 | 10.1016/j.bmcl.2010.06.033 | ||
| CHEMBL1209157 | 14823 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 | 10.1016/j.bmcl.2010.06.033 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1016/j.bmcl.2013.01.025 | ||
| 118055199 | 177371 | 0 | None | -33 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.9 | CC1(C)CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4645774 | 177371 | 0 | None | -33 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.9 | CC1(C)CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 44409124 | 74105 | 0 | None | -30 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 214 | 0 | 1 | 4 | 0.7 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL202795 | 74105 | 0 | None | -30 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 214 | 0 | 1 | 4 | 0.7 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 46914777 | 15254 | 0 | None | 18 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| CHEMBL1215038 | 15254 | 0 | None | 18 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| 33630 | 178369 | 94 | None | -6 | 28 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL47050 | 178369 | 94 | None | -6 | 28 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 44582677 | 180981 | 0 | None | -70 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 10 | 1 | 6 | 3.9 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL476838 | 180981 | 0 | None | -70 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 10 | 1 | 6 | 3.9 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 71061729 | 160384 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL4115493 | 160384 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 25117679 | 198910 | 0 | None | -8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
| CHEMBL599263 | 198910 | 0 | None | -8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
| 142601318 | 184953 | 0 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4863036 | 184953 | 0 | None | -12 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 134138183 | 147266 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3932820 | 147266 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| 155567457 | 175366 | 0 | None | -158 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 359 | 2 | 3 | 6 | 2.8 | O[C@H]1CCC[C@@H]1Nc1nc(C#Cc2ccc(Cl)s2)nc2[nH]cnc12 | 10.1039/C8MD00317C | ||
| CHEMBL4587951 | 175366 | 0 | None | -158 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 359 | 2 | 3 | 6 | 2.8 | O[C@H]1CCC[C@@H]1Nc1nc(C#Cc2ccc(Cl)s2)nc2[nH]cnc12 | 10.1039/C8MD00317C | ||
| 46914926 | 15242 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| CHEMBL1214960 | 15242 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| 11579853 | 88642 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 2 | 2 | 1.4 | CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337504 | 88642 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 2 | 2 | 1.4 | CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365200 | 88642 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 230 | 1 | 2 | 2 | 1.4 | CCc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 119584 | 2547 | 99 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| 1848 | 2547 | 99 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| 242 | 2547 | 99 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| CHEMBL60889 | 2547 | 99 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| DB11675 | 2547 | 99 | None | 1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | nan | ||
| CHEMBL4750687 | 212268 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1ncc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2cnccc21 | nan | ||||
| CHEMBL4741904 | 212266 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1ncc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2ccccc21 | nan | ||||
| 44316027 | 203801 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80862 | 203801 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 236 | 4 | 1 | 3 | 2.5 | CCSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| 11658860 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| 2941 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| 4374 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| CHEMBL360328 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| DB04871 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1021/jm801354e | ||
| CHEMBL5074880 | 212558 | 0 | None | -1 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CCNCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 9899500 | 67532 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL191054 | 67532 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 11391654 | 179933 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4753511 | 179933 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 24873384 | 182009 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 3 | 2.8 | CC(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4788223 | 182009 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 3 | 2.8 | CC(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 134154065 | 151817 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3970041 | 151817 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 3 | 9 | 1.5 | COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 11020695 | 25295 | 1 | None | -38 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| CHEMBL135076 | 25295 | 1 | None | -38 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| 879244 | 27973 | 7 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL1373650 | 27973 | 7 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 1 | 3 | 5 | 2.3 | Cc1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acsmedchemlett.8b00300 | ||
| 10791286 | 35076 | 0 | None | -9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 3 | 1 | 3 | 6.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14368 | 35076 | 0 | None | -9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 3 | 1 | 3 | 6.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 10526616 | 39254 | 0 | None | -15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 4.9 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14726 | 39254 | 0 | None | -15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 4.9 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3)nc1)CC2 | 10.1021/jm990388c | ||
| 44298229 | 101441 | 0 | None | -31 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL301012 | 101441 | 0 | None | -31 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 147653864 | 170985 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 2.7 | C[C@@]12COc3c(Br)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4464697 | 170985 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 2.7 | C[C@@]12COc3c(Br)cccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 153061504 | 172231 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4513930 | 172231 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 2389 | 3267 | 114 | None | -79 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
| 5073 | 3267 | 114 | None | -79 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
| 96 | 3267 | 114 | None | -79 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
| CHEMBL85 | 3267 | 114 | None | -79 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
| DB00734 | 3267 | 114 | None | -79 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm070516u | ||
| 2267 | 553 | 64 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 271 | 553 | 64 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 7121 | 553 | 64 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL639 | 553 | 64 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| DB00972 | 553 | 64 | None | -10 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 44298118 | 192798 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 442 | 5 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL52592 | 192798 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 442 | 5 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 12017599 | 194101 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 4 | 1 | 3 | 5.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55784 | 194101 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 4 | 1 | 3 | 5.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 72698088 | 103499 | 0 | None | -954 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 5.4 | Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
| CHEMBL3093187 | 103499 | 0 | None | -954 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 5.4 | Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
| 11175045 | 136005 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.9 | CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL373695 | 136005 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.9 | CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 135474338 | 188672 | 0 | None | 10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL511879 | 188672 | 0 | None | 10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 54761054 | 137540 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 3 | 1 | 5 | 4.0 | Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C | 10.1016/j.bmcl.2016.01.021 | ||
| CHEMBL3765778 | 137540 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 3 | 1 | 5 | 4.0 | Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C | 10.1016/j.bmcl.2016.01.021 | ||
| 134149168 | 147702 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | ||
| CHEMBL3936289 | 147702 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | ||
| 11499800 | 88664 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337503 | 88664 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365465 | 88664 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 0 | 2 | 2 | 1.1 | Cc1cc(C)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 25117680 | 198941 | 0 | None | -13 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.1 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
| CHEMBL599466 | 198941 | 0 | None | -13 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.1 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21 | 10.1021/jm901674f | ||
| 155536619 | 171625 | 0 | None | -75 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 254 | 3 | 4 | 7 | -2.3 | NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1 | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4473739 | 171625 | 0 | None | -75 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 254 | 3 | 4 | 7 | -2.3 | NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1 | 10.1021/acs.jmedchem.8b01662 | ||
| 122178710 | 120849 | 0 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581255 | 120849 | 0 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| 11290492 | 137461 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL376456 | 137461 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 218 | 1 | 1 | 3 | 0.8 | COc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 5318 | 15385 | 44 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15385 | 44 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15385 | 44 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 1531 | 2226 | 64 | None | -16 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 3869 | 2226 | 64 | None | -16 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 7207 | 2226 | 64 | None | -16 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| CHEMBL429 | 2226 | 64 | None | -16 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| DB00598 | 2226 | 64 | None | -16 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 124 | 2921 | 44 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2921 | 44 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2921 | 44 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2921 | 44 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2921 | 44 | None | -181 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 11416698 | 90662 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397902 | 90662 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 73349359 | 92097 | 0 | None | -2 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432051 | 92097 | 0 | None | -2 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44582708 | 186246 | 0 | None | -12 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 0 | 5 | 4.2 | COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL489408 | 186246 | 0 | None | -12 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 0 | 5 | 4.2 | COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
| 3191 | 102372 | 93 | None | -7 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102372 | 93 | None | -7 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 44414251 | 77704 | 0 | None | -158 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 7 | 0 | 4 | 4.8 | COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL210053 | 77704 | 0 | None | -158 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 7 | 0 | 4 | 4.8 | COc1ccc(N2CC=C(c3ccc(Br)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 44414070 | 79495 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 474 | 7 | 0 | 4 | 5.7 | COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL212482 | 79495 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 474 | 7 | 0 | 4 | 5.7 | COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 49850672 | 56077 | 0 | None | -794 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 5 | 1 | 5 | 4.1 | COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
| CHEMBL1631532 | 56077 | 0 | None | -794 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 5 | 1 | 5 | 4.1 | COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
| 44298021 | 193081 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 5.9 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL53793 | 193081 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 5.9 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 18931377 | 204739 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL88193 | 204739 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/S0960-894X(96)00503-3 | ||
| 18931150 | 205091 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL90470 | 205091 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| 153287566 | 170604 | 0 | None | -74 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 4.0 | CN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4459009 | 170604 | 0 | None | -74 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 4.0 | CN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| 11292350 | 87499 | 0 | None | -79 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.3 | COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234006 | 87499 | 0 | None | -79 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.3 | COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11775262 | 87613 | 0 | None | -125 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234532 | 87613 | 0 | None | -125 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11430311 | 149503 | 0 | None | -158 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 5.2 | COc1ccc(N2C(=O)c3c(Cl)cccc3C2C)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL395059 | 149503 | 0 | None | -158 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 5.2 | COc1ccc(N2C(=O)c3c(Cl)cccc3C2C)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11453704 | 149522 | 0 | None | -79 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.4 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL395072 | 149522 | 0 | None | -79 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.4 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11282335 | 149778 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL395297 | 149778 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.3 | COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11753782 | 12682 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 5 | 4.2 | COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL1188213 | 12682 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 5 | 4.2 | COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL535626 | 12682 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 5 | 4.2 | COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 10458785 | 86321 | 0 | None | -50 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL232045 | 86321 | 0 | None | -50 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 10346749 | 87965 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 6 | 0 | 5 | 5.5 | COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL234947 | 87965 | 0 | None | -31 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 6 | 0 | 5 | 5.5 | COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 10390089 | 141817 | 0 | None | -125 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 5.2 | COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL388882 | 141817 | 0 | None | -125 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 5.2 | COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 44298138 | 193819 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55344 | 193819 | 0 | None | -39 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(COc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 162660908 | 180828 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4763861 | 180828 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 4 | 1 | 3 | 4.0 | Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| 162669225 | 182172 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2cccc(Cl)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4790230 | 182172 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2cccc(Cl)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| 10812577 | 98575 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2 | 10.1021/jm990388c | ||
| CHEMBL280322 | 98575 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2 | 10.1021/jm990388c | ||
| 10249573 | 205849 | 0 | None | -199 | 11 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 386 | 5 | 0 | 3 | 4.1 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
| CHEMBL94984 | 205849 | 0 | None | -199 | 11 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 386 | 5 | 0 | 3 | 4.1 | CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
| 10237852 | 72044 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 7 | 0 | 6 | 3.6 | COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198712 | 72044 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 7 | 0 | 6 | 3.6 | COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 24887517 | 168462 | 0 | None | -158 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL439504 | 168462 | 0 | None | -158 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 5.6 | COc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 11191906 | 11647 | 0 | None | -39 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | ||
| CHEMBL1181665 | 11647 | 0 | None | -39 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | ||
| CHEMBL187928 | 11647 | 0 | None | -39 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 12 | 1 | 3 | 7.3 | O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1 | 10.1016/j.bmcl.2005.06.024 | ||
| 44298079 | 194639 | 0 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL56232 | 194639 | 0 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298193 | 197687 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL59097 | 197687 | 0 | None | -316 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 10433930 | 50801 | 0 | None | -999 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 3.9 | COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
| CHEMBL157910 | 50801 | 0 | None | -999 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 3.9 | COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
| 118278424 | 121485 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 3 | 1 | 4 | 2.9 | O=c1cc(CCc2ccco2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| CHEMBL3593951 | 121485 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 3 | 1 | 4 | 2.9 | O=c1cc(CCc2ccco2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| 24865725 | 187491 | 0 | None | -3981 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
| CHEMBL497963 | 187491 | 0 | None | -3981 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
| 9892409 | 100470 | 0 | None | -398 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 505 | 5 | 1 | 6 | 5.3 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 | 10.1016/s0960-894x(02)00172-5 | ||
| CHEMBL29410 | 100470 | 0 | None | -398 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 505 | 5 | 1 | 6 | 5.3 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 | 10.1016/s0960-894x(02)00172-5 | ||
| 448537 | 159691 | 86 | None | -21 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 159691 | 86 | None | -21 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1016/j.ejmech.2013.01.044 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm2006782 | ||
| 24826867 | 90650 | 0 | None | 3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397890 | 90650 | 0 | None | 3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 11323169 | 179377 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 3.1 | Cc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4746737 | 179377 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 3.1 | Cc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 2220 | 3073 | 78 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| 27400 | 3073 | 78 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| 93 | 3073 | 78 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL294951 | 3073 | 78 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| DB06153 | 3073 | 78 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| 118717217 | 120052 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 2 | 3 | 1.6 | COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343667 | 120052 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 2 | 3 | 1.6 | COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545762 | 120052 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 2 | 3 | 1.6 | COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| 72734862 | 105812 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 253 | 1 | 2 | 2 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092754 | 105812 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 253 | 1 | 2 | 2 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139079 | 105812 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 253 | 1 | 2 | 2 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 | 10.1016/j.bmc.2013.10.010 | ||
| 44269058 | 31136 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| CHEMBL14022 | 31136 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 2.6 | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | 10.1021/ml3003814 | ||
| 157 | 2030 | 5 | None | -134 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 9840090 | 2030 | 5 | None | -134 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL134519 | 2030 | 5 | None | -134 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 1043 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 149 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 8223 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL442 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00696 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 10251906 | 67426 | 14 | None | -186 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL1908863 | 67426 | 14 | None | -186 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL482496 | 67426 | 14 | None | -186 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1021/acs.jmedchem.2c00633 | ||
| 72734867 | 105872 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092757 | 105872 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139241 | 105872 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 | 10.1016/j.bmc.2013.10.010 | ||
| 230 | 4043 | 18 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.12.009 | ||
| 3045225 | 4043 | 18 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL407909 | 4043 | 18 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 243 | 3 | 1 | 4 | 2.7 | CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C | 10.1016/j.bmc.2007.12.009 | ||
| 67781610 | 166390 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccc(Br)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4287193 | 166390 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccc(Br)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
| 16062910 | 96965 | 0 | None | -6 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 329 | 3 | 1 | 3 | 3.7 | Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL269974 | 96965 | 0 | None | -6 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 329 | 3 | 1 | 3 | 3.7 | Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 9839920 | 101225 | 0 | None | 10 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 316 | 2 | 2 | 3 | 4.4 | Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL299498 | 101225 | 0 | None | 10 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 316 | 2 | 2 | 3 | 4.4 | Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21 | 10.1016/s0960-894x(01)00343-2 | ||
| 146709966 | 175196 | 0 | None | 338 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4583909 | 175196 | 0 | None | 338 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 1042 | 1544 | 20 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| 148 | 1544 | 20 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| 443884 | 1544 | 20 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| CHEMBL119443 | 1544 | 20 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| DB01253 | 1544 | 20 | None | -7 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | nan | ||
| 11536844 | 114611 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343672 | 114611 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 206 | 2447 | 10 | None | -1 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 68848 | 2447 | 10 | None | -1 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL12314 | 2447 | 10 | None | -1 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 4376990 | 192397 | 4 | None | -1 | 11 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5207529 | 192397 | 4 | None | -1 | 11 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5222754 | 192397 | 4 | None | -1 | 11 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 4 | 2 | 4 | 4.1 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 153061504 | 172231 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4513930 | 172231 | 0 | None | 15 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 59752538 | 180560 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 3 | 1 | 4 | 3.7 | CC(C)n1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4760784 | 180560 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 3 | 1 | 4 | 3.7 | CC(C)n1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 11414582 | 180746 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 2 | 1 | 3 | 2.7 | Fc1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4762886 | 180746 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 2 | 1 | 3 | 2.7 | Fc1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 59752638 | 181805 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 253 | 2 | 1 | 3 | 2.6 | c1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4785470 | 181805 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 253 | 2 | 1 | 3 | 2.6 | c1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jnatprod.2c00365 | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/acs.jnatprod.2c00365 | ||
| 3037629 | 183979 | 13 | None | 1 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL4848517 | 183979 | 13 | None | 1 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 66647021 | 120151 | 0 | None | -9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402656 | 120151 | 0 | None | -9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547009 | 120151 | 0 | None | -9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 257 | 2 | 0 | 1 | 4.2 | CN(C)[C@@H]1Cc2ccccc2[C@@H](C2CCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 118729256 | 120184 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402670 | 120184 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547156 | 120184 | 0 | None | 6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 16062785 | 94665 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL255543 | 94665 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| 16062784 | 94711 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 2 | 1 | 4 | 3.4 | N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL255802 | 94711 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 2 | 1 | 4 | 3.4 | N#Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 752521 | 197050 | 7 | None | 12 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL582877 | 197050 | 7 | None | 12 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 1 | 3 | 5 | 1.9 | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 | 10.1021/acs.jmedchem.5b01631 | ||
| 118729260 | 120163 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402672 | 120163 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547044 | 120163 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 118729274 | 120186 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402681 | 120186 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547175 | 120186 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 44435219 | 91346 | 0 | None | -6 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 2 | 0 | 2 | 6.2 | O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL241115 | 91346 | 0 | None | -6 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 2 | 0 | 2 | 6.2 | O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 155556618 | 173895 | 0 | None | -1905 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 417 | 6 | 3 | 7 | 2.7 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4554295 | 173895 | 0 | None | -1905 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 417 | 6 | 3 | 7 | 2.7 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| 5897 | 104719 | 71 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
| CHEMBL311469 | 104719 | 71 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 223 | 1 | 1 | 1 | 3.2 | CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | nan | ||
| 9926401 | 140331 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819556 | 140331 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819732 | 140331 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 71459553 | 83268 | 5 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 7 | 0 | 4 | 5.3 | COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1 | 10.1016/j.bmc.2012.09.044 | ||
| CHEMBL2205360 | 83268 | 5 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 406 | 7 | 0 | 4 | 5.3 | COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1 | 10.1016/j.bmc.2012.09.044 | ||
| 9926401 | 140331 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819556 | 140331 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819732 | 140331 | 0 | None | -4 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 301 | 5 | 0 | 2 | 4.4 | Fc1ccc(SCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 155554410 | 173812 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 331 | 2 | 2 | 5 | 0.6 | Cc1cccc(C)c1N1C(=O)[C@H](CO)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| CHEMBL4552298 | 173812 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 331 | 2 | 2 | 5 | 0.6 | Cc1cccc(C)c1N1C(=O)[C@H](CO)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| 11615459 | 197558 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590078 | 197558 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| 122186881 | 122453 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3608451 | 122453 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 11209786 | 136703 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL375170 | 136703 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 296 | 1 | 1 | 2 | 2.7 | O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 155558626 | 174179 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4561016 | 174179 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| 11336079 | 83049 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 1.8 | C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL220115 | 83049 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 1.8 | C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 11264955 | 203243 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76474 | 203243 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 240 | 3 | 1 | 3 | 2.3 | CSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| 20824945 | 67231 | 0 | None | -16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL190124 | 67231 | 0 | None | -16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 196129 | 67441 | 12 | None | -26 | 15 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| CHEMBL1909065 | 67441 | 12 | None | -26 | 15 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| 118055334 | 176886 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 0 | 1 | 2 | 2.5 | CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4639090 | 176886 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 0 | 1 | 2 | 2.5 | CC1CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 24826963 | 90670 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.3 | Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397910 | 90670 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 230 | 0 | 1 | 2 | 1.3 | Cc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 71681897 | 90674 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 258 | 0 | 1 | 3 | 1.0 | O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397914 | 90674 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 258 | 0 | 1 | 3 | 1.0 | O=C1c2ccc3c(c2C[C@@H]2CNCCN12)OCCC3 | 10.1016/j.bmcl.2013.04.061 | ||
| 25123014 | 198737 | 0 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| CHEMBL598229 | 198737 | 0 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| 126769 | 204313 | 35 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL536255 | 204313 | 35 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL85194 | 204313 | 35 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 266 | 2 | 2 | 3 | 3.2 | Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21 | 10.1016/j.bmcl.2016.05.079 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C4MD00418C | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C4MD00418C | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C4MD00418C | ||
| 127037059 | 136001 | 0 | None | 10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3736516 | 136001 | 0 | None | 10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 11 | 0 | 5 | 5.6 | COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL4777443 | 212276 | 0 | None | 11 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||||
| 70687202 | 77609 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL2096809 | 77609 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@@H]1CNC[C@@H]2Cc3ccccc3N21 | 10.1016/j.bmcl.2005.05.074 | ||
| 18715558 | 73519 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201897 | 73519 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3ccncc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 44451390 | 155197 | 2 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 210 | 1 | 2 | 2 | 2.1 | CNc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL405717 | 155197 | 2 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 210 | 1 | 2 | 2 | 2.1 | CNc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 118729246 | 120162 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402663 | 120162 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547043 | 120162 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 16062143 | 97232 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 283 | 2 | 1 | 3 | 3.2 | Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL271318 | 97232 | 0 | None | -19 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 283 | 2 | 1 | 3 | 3.2 | Fc1ccc(-c2nc(C3CCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 134146585 | 148365 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 3 | 3 | 8 | -0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3941738 | 148365 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 3 | 3 | 8 | -0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 117209911 | 185737 | 1 | None | -26 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4874854 | 185737 | 1 | None | -26 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccccc1-c1n[nH]cc1N1CCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
| 24826786 | 90641 | 0 | None | -8 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397881 | 90641 | 0 | None | -8 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 10330266 | 21188 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2ccsc12 | 10.1021/jm980692q | ||
| CHEMBL13147 | 21188 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2ccsc12 | 10.1021/jm980692q | ||
| 4011 | 81982 | 43 | None | -20 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81982 | 43 | None | -20 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 155512086 | 169043 | 0 | None | -407 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 6 | 4 | 8 | 1.5 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4436786 | 169043 | 0 | None | -407 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 6 | 4 | 8 | 1.5 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 137645406 | 157348 | 0 | None | -269 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4084262 | 157348 | 0 | None | -269 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4526351 | 212221 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | Cc1cc(NC(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc(-n2ccn3nc(-c4cccnc4)cc23)c1 | nan | ||||
| 117209857 | 184545 | 1 | None | -5 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4856702 | 184545 | 1 | None | -5 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 4601 | 205010 | 29 | None | -4 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205010 | 29 | None | -4 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205010 | 29 | None | -4 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 68617 | 203806 | 60 | None | -15 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203806 | 60 | None | -15 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203806 | 60 | None | -15 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 104697662 | 144860 | 1 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3914002 | 144860 | 1 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 3.3 | Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 | 10.1021/acs.jmedchem.6b01183 | ||
| 71682217 | 90673 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397913 | 90673 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 246 | 1 | 1 | 3 | 1.0 | COc1c(C)ccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 44409032 | 74657 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL203396 | 74657 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N21 | 10.1016/j.bmcl.2005.11.083 | ||
| 165193 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3126 | 60 | None | -72 | 43 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2353 | 100630 | 75 | None | -7 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL12089 | 100630 | 75 | None | -7 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL295124 | 100630 | 75 | None | -7 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| 10440 | 2632 | 15 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| 139030523 | 2632 | 15 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4449712 | 2632 | 15 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| 3117 | 206096 | 100 | None | -8 | 16 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 206096 | 100 | None | -8 | 16 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 145992489 | 166413 | 0 | None | -6 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4287623 | 166413 | 0 | None | -6 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 118055195 | 177433 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 2.0 | Cc1ccc2c3c1C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4646618 | 177433 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 2.0 | Cc1ccc2c3c1C(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 122178704 | 120843 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581249 | 120843 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 16047544 | 12524 | 7 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL1187185 | 12524 | 7 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
| CHEMBL492916 | 12524 | 7 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 225 | 2 | 1 | 1 | 2.5 | NCC1CC1c1ccccc1Br | 10.1021/jm801354e | ||
| 16062911 | 97249 | 0 | None | -27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 4.4 | FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL271418 | 97249 | 0 | None | -27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 4.4 | FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C8MD00204E | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C8MD00204E | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1039/C8MD00204E | ||
| 11658860 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
| 2941 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
| 4374 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL360328 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
| DB04871 | 2302 | 47 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1016/j.bmcl.2019.126929 | ||
| 11187156 | 135818 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 3 | 1 | 2 | 3.1 | CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL373483 | 135818 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 3 | 1 | 2 | 3.1 | CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 16062270 | 97211 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL271212 | 97211 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 297 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 16062266 | 97231 | 0 | None | -169 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL271317 | 97231 | 0 | None | -169 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 2284 | 3121 | 27 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3121 | 27 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3121 | 27 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3121 | 27 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3121 | 27 | None | -16 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 9837204 | 74329 | 1 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 209 | 0 | 1 | 3 | 1.1 | Clc1ccc2c(n1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL203025 | 74329 | 1 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 209 | 0 | 1 | 3 | 1.1 | Clc1ccc2c(n1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 49865829 | 15968 | 0 | None | 22 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 330 | 1 | 1 | 3 | 4.1 | O=C(Nc1ccccc1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224031 | 15968 | 0 | None | 22 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 330 | 1 | 1 | 3 | 4.1 | O=C(Nc1ccccc1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 16062139 | 157113 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.4 | CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL408154 | 157113 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.4 | CCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| 71463061 | 83367 | 0 | None | -3 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205813 | 83367 | 0 | None | -3 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 2351 | 3222 | 60 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 3222 | 60 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 3222 | 60 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 3222 | 60 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 3222 | 60 | None | -7 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 156012918 | 176864 | 0 | None | -7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.2 | Clc1ccc2c3c1CCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4638807 | 176864 | 0 | None | -7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.2 | Clc1ccc2c3c1CCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 24826870 | 90658 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397898 | 90658 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 444795 | 139456 | 102 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
| CHEMBL38 | 139456 | 102 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | nan | ||
| 136118613 | 92617 | 0 | None | 5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442275 | 92617 | 0 | None | 5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 26987 | 934 | 29 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 934 | 29 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 934 | 29 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 934 | 29 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 934 | 29 | None | -47 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 46230099 | 197622 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590483 | 197622 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CCNCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| 11514226 | 88667 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337494 | 88667 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365470 | 88667 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 202 | 0 | 2 | 2 | 0.8 | Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 15560577 | 184749 | 6 | None | 1 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL4859858 | 184749 | 6 | None | 1 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 134152052 | 152537 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3976121 | 152537 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 134152052 | 152537 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL3976121 | 152537 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL5094493 | 213713 | 0 | None | -11 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCCN(CCC)CCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 72698087 | 103498 | 0 | None | -2089 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 5.0 | Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
| CHEMBL3093186 | 103498 | 0 | None | -2089 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 5 | 0 | 4 | 5.0 | Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12 | 10.1016/j.bmc.2013.08.061 | ||
| 10251906 | 67426 | 14 | None | -186 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1016/j.bmc.2008.04.050 | ||
| CHEMBL1908863 | 67426 | 14 | None | -186 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1016/j.bmc.2008.04.050 | ||
| CHEMBL482496 | 67426 | 14 | None | -186 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 3.6 | COc1cc(CCNCc2ccccc2OC)c(OC)cc1I | 10.1016/j.bmc.2008.04.050 | ||
| 155539605 | 172266 | 0 | None | 3 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| CHEMBL4514672 | 172266 | 0 | None | 3 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| 127034730 | 135903 | 0 | None | 9 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735643 | 135903 | 0 | None | 9 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 523 | 14 | 0 | 8 | 5.1 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 46914927 | 15230 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| CHEMBL1214893 | 15230 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 382 | 8 | 0 | 4 | 4.5 | FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| 91864602 | 140194 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818047 | 140194 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 135514796 | 92612 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 226 | 1 | 4 | 2 | 1.2 | N=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442270 | 92612 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 226 | 1 | 4 | 2 | 1.2 | N=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 142601323 | 185249 | 0 | None | -9 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccccc1-c1n[nH]cc1N1CCCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4867560 | 185249 | 0 | None | -9 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1ccccc1-c1n[nH]cc1N1CCCNCC1 | 10.1021/acs.jmedchem.1c01093 | ||
| 3973 | 206429 | 104 | None | -44 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
| CHEMBL98350 | 206429 | 104 | None | -44 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 2 | 0 | 4 | 3.3 | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 | nan | ||
| 3157 | 1437 | 69 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 7170 | 1437 | 69 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 954 | 1437 | 69 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| CHEMBL707 | 1437 | 69 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| DB00590 | 1437 | 69 | None | -37 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 91864602 | 140194 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818047 | 140194 | 0 | None | -66 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 16115388 | 136828 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| CHEMBL375302 | 136828 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 1 | 1 | 2 | 2.6 | CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| 11185858 | 84354 | 0 | None | -7 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
| CHEMBL223271 | 84354 | 0 | None | -7 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
| 71061785 | 159937 | 0 | None | -6 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
| CHEMBL4112056 | 159937 | 0 | None | -6 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 386 | 5 | 0 | 4 | 3.0 | O=C(CN1CCO[C@@H](COc2cccc(Cl)c2)C1)N1CCc2ccccc21 | nan | ||
| 10430623 | 18473 | 22 | None | -213 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.0 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
| CHEMBL1277105 | 18473 | 22 | None | -213 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.0 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N3CCNCC3)cc12 | 10.1021/jm1007825 | ||
| 72901200 | 119259 | 21 | None | -162 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | nan | ||
| CHEMBL3480577 | 119259 | 21 | None | -162 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | nan | ||
| 11587397 | 88613 | 0 | None | -12 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337489 | 88613 | 0 | None | -12 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2364893 | 88613 | 0 | None | -12 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 6726 | 1249 | 46 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1249 | 46 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1249 | 46 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1249 | 46 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1249 | 46 | None | -7 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 44579715 | 192639 | 0 | None | -2238 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 4 | 3 | 7 | 2.7 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL523797 | 192639 | 0 | None | -2238 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 4 | 3 | 7 | 2.7 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
| 46230048 | 197600 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590332 | 197600 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| 118055215 | 176872 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.2 | Cc1ccc2c3c1C(C)(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4638879 | 176872 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.2 | Cc1ccc2c3c1C(C)(C)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2009.12.014 | ||
| 11652452 | 88683 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337492 | 88683 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365703 | 88683 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.8 | CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 162668650 | 182081 | 0 | None | -7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 284 | 3 | 2 | 4 | 2.9 | CNc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4789085 | 182081 | 0 | None | -7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 284 | 3 | 2 | 4 | 2.9 | CNc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 3251 | 3997 | 50 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| 5684 | 3997 | 50 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| 80 | 3997 | 50 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL31354 | 3997 | 50 | None | -79 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm0612968 | ||
| 16115381 | 83016 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| CHEMBL219837 | 83016 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 | 10.1021/jm0612968 | ||
| 10015055 | 2063 | 4 | None | -120 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| 1212 | 2063 | 4 | None | -120 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402679 | 2063 | 4 | None | -120 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| 46884100 | 7920 | 0 | None | -104 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.0 | O=C(NCc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1090757 | 7920 | 0 | None | -104 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.0 | O=C(NCc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| 145978665 | 162954 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 2.4 | C[C@@H]1SC(c2c[nH]c3ccccc23)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4202582 | 162954 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 2.4 | C[C@@H]1SC(c2c[nH]c3ccccc23)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 2142 | 3035 | 54 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 3035 | 54 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 3035 | 54 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 3035 | 54 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 3035 | 54 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 3035 | 54 | None | -43 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 56678761 | 65322 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834257 | 65322 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
| 46914773 | 15240 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| CHEMBL1214958 | 15240 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| 9921064 | 126644 | 18 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 236 | 3 | 1 | 1 | 3.2 | Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C | 10.1021/acs.jmedchem.5b00179 | ||
| CHEMBL365751 | 126644 | 18 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 236 | 3 | 1 | 1 | 3.2 | Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C | 10.1021/acs.jmedchem.5b00179 | ||
| 22254068 | 65624 | 24 | None | -173 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65624 | 24 | None | -173 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 11536299 | 182694 | 6 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
| CHEMBL479683 | 182694 | 6 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 3 | 1 | 3 | 3.3 | O=c1cc(CCc2ccccc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2014.02.029 | ||
| 145990586 | 166279 | 0 | None | -19 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4285281 | 166279 | 0 | None | -19 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| 136118660 | 75888 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058428 | 75888 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 135367816 | 164272 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 248 | 1 | 1 | 3 | 2.7 | Clc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| CHEMBL4218801 | 164272 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 248 | 1 | 1 | 3 | 2.7 | Clc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| 11483068 | 84374 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL223440 | 84374 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 11414184 | 83071 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL220274 | 83071 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)C2CNCCN12 | 10.1021/jm0612968 | ||
| 43922 | 114254 | 9 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 250 | 4 | 2 | 2 | 2.0 | COc1cc2c(CCNC(C)=O)c[nH]c2cc1F | 10.1021/jm100600y | ||
| CHEMBL333886 | 114254 | 9 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 250 | 4 | 2 | 2 | 2.0 | COc1cc2c(CCNC(C)=O)c[nH]c2cc1F | 10.1021/jm100600y | ||
| 1212 | 1624 | 45 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1624 | 45 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1624 | 45 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1624 | 45 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1624 | 45 | None | -27 | 66 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 9856509 | 95508 | 4 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 0 | 1 | 1 | 2.8 | Clc1c(Br)ccc2c1CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL259480 | 95508 | 4 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 0 | 1 | 1 | 2.8 | Clc1c(Br)ccc2c1CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 168293016 | 191502 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5203303 | 191502 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 7 | 0 | 5 | 5.0 | CCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 10599545 | 36157 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14469 | 36157 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 10436045 | 3447 | 3 | None | -7 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| 782 | 3447 | 3 | None | -7 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL432713 | 3447 | 3 | None | -7 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970741j | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970741j | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970741j | ||
| 11391654 | 179933 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4753511 | 179933 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 3.0 | CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970424c | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970424c | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm970424c | ||
| 10835537 | 38376 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14652 | 38376 | 0 | None | -5 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2 | 10.1021/jm990388c | ||
| 10574607 | 40388 | 0 | None | -7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14841 | 40388 | 0 | None | -7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2 | 10.1021/jm990388c | ||
| 44298249 | 192976 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3cccnc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL53063 | 192976 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3cccnc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 44298121 | 193150 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL53939 | 193150 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1 | 10.1016/s0960-894x(00)00365-6 | ||
| 44214723 | 193812 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.6 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55335 | 193812 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.6 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 1225 | 1438 | 24 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
| 3958 | 1438 | 24 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
| 667477 | 1438 | 24 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL860 | 1438 | 24 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
| DB01142 | 1438 | 24 | None | -89 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | 10.1021/acsmedchemlett.8b00300 | ||
| 20824946 | 123113 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 1 | 2 | 3 | 0.9 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL361929 | 123113 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 1 | 2 | 3 | 0.9 | C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| 118729244 | 120161 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402662 | 120161 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547029 | 120161 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 122188579 | 122655 | 0 | None | -1479 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 471 | 4 | 4 | 8 | 2.0 | CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.5b00150 | ||
| CHEMBL3612940 | 122655 | 0 | None | -1479 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 471 | 4 | 4 | 8 | 2.0 | CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.5b00150 | ||
| 16062137 | 97250 | 0 | None | -125 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL271419 | 97250 | 0 | None | -125 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 44298186 | 101228 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 4 | 1 | 5 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL299506 | 101228 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 4 | 1 | 5 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298120 | 193320 | 0 | None | -158 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL54775 | 193320 | 0 | None | -158 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44323840 | 204836 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 586 | 12 | 3 | 9 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL88809 | 204836 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 586 | 12 | 3 | 9 | 2.7 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 155519891 | 169814 | 0 | None | 2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4447975 | 169814 | 0 | None | 2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
| 155526977 | 170545 | 0 | None | 10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 221 | 2 | 1 | 3 | 2.3 | CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4458099 | 170545 | 0 | None | 10 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 221 | 2 | 1 | 3 | 2.3 | CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 153287541 | 171619 | 0 | None | -12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 1 | 0 | 2 | 3.9 | CN1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4473697 | 171619 | 0 | None | -12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 1 | 0 | 2 | 3.9 | CN1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| 153287539 | 175490 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3ccc(-c4ccccc4)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4591008 | 175490 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 1 | 1 | 2 | 3.6 | C[C@@]12COc3ccc(-c4ccccc4)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 11465413 | 87601 | 0 | None | -125 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.7 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234494 | 87601 | 0 | None | -125 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.7 | COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11305844 | 87734 | 0 | None | -630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 466 | 6 | 0 | 4 | 5.1 | COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL234739 | 87734 | 0 | None | -630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 466 | 6 | 0 | 4 | 5.1 | COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 10368204 | 86323 | 0 | None | -15 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL232047 | 86323 | 0 | None | -15 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4ccc(F)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 2337 | 3193 | 72 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 50 | 3193 | 72 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 5002 | 3193 | 72 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL716 | 3193 | 72 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| DB01224 | 3193 | 72 | None | -15 | 63 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 76325516 | 105238 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | O=c1cc(CCCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| CHEMBL3126299 | 105238 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | O=c1cc(CCCc2ccccc2)oc2cccc(O)c12 | 10.1021/acs.jnatprod.5b00118 | ||
| 18357724 | 194912 | 0 | None | -31 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL56405 | 194912 | 0 | None | -31 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21 | 10.1016/s0960-894x(00)00365-6 | ||
| 162645563 | 179100 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2ccc(C(F)(F)F)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4743625 | 179100 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.7 | O=c1cc(CCCc2ccc(C(F)(F)F)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| 162648564 | 179331 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2ccc(Cl)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4746138 | 179331 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.3 | O=c1cc(CCCc2ccc(Cl)cc2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| 162666438 | 181678 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 4 | 1 | 3 | 3.8 | O=c1cc(CCCc2cccc(F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4783824 | 181678 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 4 | 1 | 3 | 3.8 | O=c1cc(CCCc2cccc(F)c2)oc2cccc(O)c12 | 10.1016/j.bmcl.2020.127511 | ||
| 44298126 | 101111 | 0 | None | -158 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL298696 | 101111 | 0 | None | -158 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 10085260 | 170050 | 0 | None | -66 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
| CHEMBL445106 | 170050 | 0 | None | -66 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
| 71086303 | 160251 | 0 | None | 1 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 373 | 6 | 0 | 5 | 2.9 | Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL4114493 | 160251 | 0 | None | 1 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 373 | 6 | 0 | 5 | 2.9 | Clc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 117209965 | 184655 | 1 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4858338 | 184655 | 1 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 46914775 | 15241 | 0 | None | 3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| CHEMBL1214959 | 15241 | 0 | None | 3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| 127035062 | 135915 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3735756 | 135915 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 127035062 | 135915 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735756 | 135915 | 0 | None | -4 | 19 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 15011385 | 160992 | 3 | None | -6 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 244 | 3 | 1 | 2 | 2.6 | CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| CHEMBL412876 | 160992 | 3 | None | -6 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 244 | 3 | 1 | 2 | 2.6 | CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3 | 10.1021/jm030205t | ||
| 45378936 | 197815 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.2 | CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
| CHEMBL591940 | 197815 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.2 | CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
| 70695555 | 77592 | 1 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@H]1CNC[C@@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL2096711 | 77592 | 1 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.4 | C[C@H]1CNC[C@@H]2Cc3ccccc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| 168286277 | 191009 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 3 | 2 | 3 | 6.5 | Ic1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1 | 10.1021/acs.jmedchem.2c01170 | ||
| CHEMBL5195535 | 191009 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 3 | 2 | 3 | 6.5 | Ic1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1 | 10.1021/acs.jmedchem.2c01170 | ||
| 1599 | 2299 | 47 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 2299 | 47 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 2299 | 47 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 2299 | 47 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 2299 | 47 | None | -144 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 46914771 | 15222 | 0 | None | 12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| CHEMBL1214831 | 15222 | 0 | None | 12 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| 165193 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3126 | 60 | None | -72 | 43 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4209 | 3102 | 71 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 3102 | 71 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 3102 | 71 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 3102 | 71 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 3102 | 71 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 3102 | 71 | None | -758 | 34 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 10085260 | 170050 | 0 | None | -66 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
| CHEMBL445106 | 170050 | 0 | None | -66 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.2 | COc1cc(Br)c2c3c1C[C@H](N)C[C@@H]3CO2 | 10.1021/jm980076u | ||
| 135433933 | 176454 | 1 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL463249 | 176454 | 1 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Br)ccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 136118728 | 92615 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442273 | 92615 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 90181059 | 159672 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL4109801 | 159672 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 6 | 0 | 5 | 2.4 | COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 | nan | ||
| 10472143 | 118759 | 0 | None | -60 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL343755 | 118759 | 0 | None | -60 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 59757153 | 105849 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092762 | 105849 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139190 | 105849 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 251 | 1 | 2 | 1 | 1.7 | NC(N)=NC(=O)c1cccc2c1-c1ccccc1C2 | 10.1016/j.bmc.2013.10.010 | ||
| 118464427 | 137793 | 0 | None | 15 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3771331 | 137793 | 0 | None | 15 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 3 | 4 | 6 | 1.8 | CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 118709750 | 113028 | 0 | None | -24 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL3321791 | 113028 | 0 | None | -24 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1 | 10.1016/j.bmcl.2014.07.018 | ||
| 44453652 | 154905 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 273 | 1 | 1 | 3 | 2.8 | Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL403902 | 154905 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 273 | 1 | 1 | 3 | 2.8 | Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CCNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| 73349361 | 92102 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432058 | 92102 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 136118636 | 75946 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058696 | 75946 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cc(Br)ccc12 | 10.1016/j.bmc.2013.09.011 | ||
| 43229249 | 140273 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818989 | 140273 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
| 25067564 | 199605 | 0 | None | -61 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| CHEMBL604102 | 199605 | 0 | None | -61 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 3 | 2 | 5 | 3.1 | N[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| 56658157 | 65323 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 348 | 7 | 0 | 3 | 4.6 | c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834258 | 65323 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 348 | 7 | 0 | 3 | 4.6 | c1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| 43229249 | 140273 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818989 | 140273 | 1 | None | -70 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 5 | 0 | 2 | 3.7 | O=C(CCCN1CCc2ccccc2C1)c1ccccc1 | 10.1016/j.bmc.2016.05.053 | ||
| 44582706 | 186404 | 0 | None | -46 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 10 | 1 | 5 | 4.0 | COc1ccc(CCN2CCC(C(O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL490633 | 186404 | 0 | None | -46 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 10 | 1 | 5 | 4.0 | COc1ccc(CCN2CCC(C(O)c3cccc(OCCF)c3OC)CC2)cc1 | 10.1016/j.bmc.2009.03.021 | ||
| 3035850 | 936 | 65 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| 457 | 936 | 65 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL431733 | 936 | 65 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| DB12885 | 936 | 65 | None | -15135 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.6b01183 | ||
| 145973771 | 164156 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4217398 | 164156 | 0 | None | -3 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 21138 | 97986 | 34 | None | -6 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| CHEMBL275742 | 97986 | 34 | None | -6 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| 46914486 | 15231 | 0 | None | 13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| CHEMBL1214894 | 15231 | 0 | None | 13 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| 124087 | 1357 | 106 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1357 | 106 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1357 | 106 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1357 | 106 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1357 | 106 | None | -5 | 15 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 118055191 | 176731 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 2.7 | CC1(C)CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4636977 | 176731 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 280 | 0 | 1 | 2 | 2.7 | CC1(C)CN2CCNCc3ccc(Br)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL5074190 | 212533 | 0 | None | -112 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | COc1ccccc1-c1cc(CCN(C)C)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||||
| 11701315 | 197599 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590331 | 197599 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)N1CCNCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| 44554393 | 18346 | 0 | None | -61 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.1 | CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
| CHEMBL1275630 | 18346 | 0 | None | -61 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 5 | 1 | 6 | 4.1 | CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
| 49783415 | 17481 | 0 | None | -3890 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258452 | 17481 | 0 | None | -3890 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| 136118647 | 75952 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.2 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058702 | 75952 | 0 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.2 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 1530 | 2142 | 44 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2142 | 44 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2142 | 44 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2142 | 44 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2142 | 44 | None | -19 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 122178707 | 120846 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581252 | 120846 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| 11233293 | 83733 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 310 | 1 | 1 | 2 | 2.9 | CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1 | 10.1021/jm0612968 | ||
| CHEMBL220833 | 83733 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 310 | 1 | 1 | 2 | 2.9 | CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1 | 10.1021/jm0612968 | ||
| 16115267 | 84355 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| CHEMBL223272 | 84355 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| 71461049 | 82548 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 6 | 0 | 4 | 4.9 | CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| CHEMBL2181187 | 82548 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 6 | 0 | 4 | 4.9 | CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| 56665074 | 65318 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834253 | 65318 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
| 155534799 | 175928 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 7 | 1 | 6 | 2.7 | O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 | 10.1016/j.bmcl.2019.126679 | ||
| CHEMBL4471059 | 175928 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 7 | 1 | 6 | 2.7 | O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 | 10.1016/j.bmcl.2019.126679 | ||
| CHEMBL4596904 | 175928 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 416 | 7 | 1 | 6 | 2.7 | O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 | 10.1016/j.bmcl.2019.126679 | ||
| 155535203 | 171465 | 0 | None | -7 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 5 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4471712 | 171465 | 0 | None | -7 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 5 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
| 5353853 | 17788 | 41 | None | -23 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 17788 | 41 | None | -23 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 17788 | 41 | None | -23 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 44409327 | 76264 | 0 | None | -128 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL206394 | 76264 | 0 | None | -128 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 3 | 1 | 4 | 1.9 | CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 155531067 | 171043 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4465512 | 171043 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| 71459604 | 83365 | 0 | None | -5 | 14 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205811 | 83365 | 0 | None | -5 | 14 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| 122187378 | 122497 | 0 | None | 8 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609143 | 122497 | 0 | None | 8 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 455 | 5 | 0 | 5 | 5.6 | COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 44455426 | 154598 | 0 | None | -33 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL402143 | 154598 | 0 | None | -33 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 11288612 | 182019 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 267 | 2 | 1 | 3 | 3.0 | c1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4788327 | 182019 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 267 | 2 | 1 | 3 | 3.0 | c1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 145981805 | 166146 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 3 | 0 | 2 | 4.6 | CN(C)CC/C=C1\c2ccc(Cl)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4282729 | 166146 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 3 | 0 | 2 | 4.6 | CN(C)CC/C=C1\c2ccc(Cl)cc2COc2ccccc21 | 10.1021/acsmedchemlett.8b00300 | ||
| 127048334 | 140057 | 0 | None | 13 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3813796 | 140057 | 0 | None | 13 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 29943048 | 67306 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL190699 | 67306 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 29943048 | 67306 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL190699 | 67306 | 0 | None | -10 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 1588 | 2284 | 24 | None | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 2284 | 24 | None | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 2284 | 24 | None | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 2284 | 24 | None | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 2284 | 24 | None | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 11637931 | 120059 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.0 | COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343665 | 120059 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.0 | COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545814 | 120059 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.0 | COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| 145993540 | 166769 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 12 | 3 | 11 | 2.2 | NCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 | 10.1039/C7MD00247E | ||
| CHEMBL4294350 | 166769 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 12 | 3 | 11 | 2.2 | NCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 | 10.1039/C7MD00247E | ||
| 127048335 | 140049 | 0 | None | 15 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3813726 | 140049 | 0 | None | 15 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 11502243 | 188906 | 39 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmc.2019.02.044 | ||
| CHEMBL513994 | 188906 | 39 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 401 | 4 | 1 | 6 | 4.4 | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F | 10.1016/j.bmc.2019.02.044 | ||
| 146709966 | 175196 | 0 | None | 338 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4583909 | 175196 | 0 | None | 338 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 241 | 1 | 1 | 2 | 3.4 | CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 72734865 | 105821 | 0 | None | 39 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092756 | 105821 | 0 | None | 39 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139103 | 105821 | 0 | None | 39 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 268 | 1 | 3 | 3 | 2.0 | NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 | 10.1016/j.bmc.2013.10.010 | ||
| 135509961 | 135596 | 2 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
| CHEMBL373245 | 135596 | 2 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 | 10.1021/jm050663x | ||
| 10623020 | 32169 | 0 | None | -12 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14111 | 32169 | 0 | None | -12 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
| 18475630 | 101413 | 0 | None | 19 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 2 | 2 | 3 | 4.7 | Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL300835 | 101413 | 0 | None | 19 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 330 | 2 | 2 | 3 | 4.7 | Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C | 10.1016/s0960-894x(01)00343-2 | ||
| 10690185 | 161193 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 3 | 1 | 3 | 4.5 | CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| CHEMBL41389 | 161193 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 3 | 1 | 3 | 4.5 | CC(C)Oc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| 1621 | 2386 | 16 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 17 | 2386 | 16 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 5761 | 2386 | 16 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| CHEMBL263881 | 2386 | 16 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| DB04829 | 2386 | 16 | None | -19 | 45 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 2600 | 3708 | 73 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 3708 | 73 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 3708 | 73 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 3708 | 73 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 3708 | 73 | None | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 118729264 | 120174 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402675 | 120174 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547136 | 120174 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 118729248 | 120178 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402664 | 120178 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547150 | 120178 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 16062788 | 97011 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL270188 | 97011 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 16062781 | 154628 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL402357 | 154628 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 2 | 1 | 3 | 3.6 | Fc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 127036932 | 136811 | 0 | None | 1 | 22 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3752900 | 136811 | 0 | None | 1 | 22 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 44581973 | 175018 | 0 | None | -14 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458002 | 175018 | 0 | None | -14 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 73346042 | 91388 | 3 | None | -3019 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| CHEMBL2413153 | 91388 | 3 | None | -3019 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| 44451429 | 155214 | 3 | None | -21 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 226 | 1 | 1 | 3 | 1.9 | O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL405829 | 155214 | 3 | None | -21 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 226 | 1 | 1 | 3 | 1.9 | O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 89901929 | 120179 | 0 | None | -38 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402665 | 120179 | 0 | None | -38 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547151 | 120179 | 0 | None | -38 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 89901938 | 120188 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402684 | 120188 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547177 | 120188 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 145978113 | 163274 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 207 | 2 | 1 | 3 | 1.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4206418 | 163274 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 207 | 2 | 1 | 3 | 1.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 11312820 | 135798 | 0 | None | -8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
| CHEMBL373402 | 135798 | 0 | None | -8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.2 | C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
| 46914621 | 15232 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| CHEMBL1214895 | 15232 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1021/jm100639f | ||
| 122187375 | 122494 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 5.6 | CCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609140 | 122494 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 5.6 | CCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 4211 | 57502 | 81 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
| CHEMBL1670 | 57502 | 81 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
| 11737032 | 84578 | 0 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL223896 | 84578 | 0 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 1.4 | O=C1c2c(Cl)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 44316017 | 203731 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80366 | 203731 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 228 | 2 | 1 | 2 | 2.2 | C[C@H](N)CN1CCc2cc(F)c(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 6761 | 67442 | 17 | None | -7 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 67442 | 17 | None | -7 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 59752584 | 180903 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)c(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4764808 | 180903 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)c(Cl)c1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 118717213 | 120055 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 4 | 3 | 2 | 2.5 | CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343664 | 120055 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 4 | 3 | 2 | 2.5 | CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545802 | 120055 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 4 | 3 | 2 | 2.5 | CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| 10244831 | 193208 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 4.6 | CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL54062 | 193208 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 4.6 | CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
| 9888804 | 193311 | 2 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL54719 | 193311 | 2 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/j.bmcl.2005.08.004 | ||
| 10811153 | 168542 | 0 | None | -7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 5.1 | CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| CHEMBL44015 | 168542 | 0 | None | -7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 403 | 3 | 1 | 3 | 5.1 | CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 | 10.1021/jm970741j | ||
| 44298173 | 193811 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55331 | 193811 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.1 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298236 | 194278 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.4 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55964 | 194278 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.4 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 10435572 | 149555 | 0 | None | -12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL395098 | 149555 | 0 | None | -12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cccc(F)c4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 50878551 | 90300 | 60 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL2391541 | 90300 | 60 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 9888804 | 193311 | 2 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL54719 | 193311 | 2 | None | -63 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 5.0 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 11121216 | 29910 | 0 | None | -154 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL138989 | 29910 | 0 | None | -154 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 3845148 | 65316 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 5 | 0 | 3 | 3.8 | c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834251 | 65316 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 5 | 0 | 3 | 3.8 | c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| 16063181 | 154882 | 0 | None | -34 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL403764 | 154882 | 0 | None | -34 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 319 | 3 | 1 | 3 | 3.5 | Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 142601337 | 185378 | 0 | None | -97 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4869695 | 185378 | 0 | None | -97 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.0 | Fc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 145990659 | 166361 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 273 | 1 | 4 | 6 | 1.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(O)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4286819 | 166361 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 273 | 1 | 4 | 6 | 1.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(O)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 9906447 | 193894 | 1 | None | -4365 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031738 | 193894 | 1 | None | -4365 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL555146 | 193894 | 1 | None | -4365 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| 9909089 | 186375 | 0 | None | -2511 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.2 | Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 | 10.1016/j.bmcl.2008.08.110 | ||
| CHEMBL490417 | 186375 | 0 | None | -2511 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.2 | Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 | 10.1016/j.bmcl.2008.08.110 | ||
| 10217207 | 71753 | 0 | None | -398 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL197807 | 71753 | 0 | None | -398 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 463 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 10288601 | 71825 | 0 | None | -100 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198007 | 71825 | 0 | None | -100 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 7 | 0 | 5 | 4.2 | COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 50898777 | 56131 | 0 | None | -2951 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
| CHEMBL1632158 | 56131 | 0 | None | -2951 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
| 44414105 | 137644 | 0 | None | -79 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 7 | 0 | 4 | 5.9 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL376962 | 137644 | 0 | None | -79 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 7 | 0 | 4 | 5.9 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 19356259 | 101546 | 0 | None | -158 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL301784 | 101546 | 0 | None | -158 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298192 | 167576 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 472 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL433060 | 167576 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 472 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 187 | 3324 | 15 | None | -288 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 10.1016/S0960-894X(96)00503-3 | ||
| 3693566 | 3324 | 15 | None | -288 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL88402 | 3324 | 15 | None | -288 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 10.1016/S0960-894X(96)00503-3 | ||
| 11766873 | 205005 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 2.8 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL89967 | 205005 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 2.8 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 18931123 | 205489 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 601 | 12 | 4 | 9 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL92809 | 205489 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 601 | 12 | 4 | 9 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 153287567 | 171808 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 4.3 | Cc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4476396 | 171808 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 4.3 | Cc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1 | 10.1021/acsmedchemlett.9b00225 | ||
| 153287557 | 175495 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 1 | 1 | 2 | 5.2 | C[C@@]12CN(c3ccc(Br)cc3)c3ccc(Br)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4591108 | 175495 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 1 | 1 | 2 | 5.2 | C[C@@]12CN(c3ccc(Br)cc3)c3ccc(Br)cc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 11463745 | 151244 | 0 | None | -79 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 6 | 0 | 4 | 4.4 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL396505 | 151244 | 0 | None | -79 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 6 | 0 | 4 | 4.4 | COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 11750162 | 151269 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL396527 | 151269 | 0 | None | -100 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 6 | 0 | 4 | 4.6 | COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 179 | 396 | 107 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
| 2159 | 396 | 107 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
| 963 | 396 | 107 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
| CHEMBL243712 | 396 | 107 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
| DB06288 | 396 | 107 | None | -17 | 51 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1021/jm070516u | ||
| 10440 | 2632 | 15 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| 139030523 | 2632 | 15 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4449712 | 2632 | 15 | None | 3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 7 | 3 | 7 | 4.2 | OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F | 10.1021/acs.jmedchem.9b00869 | ||
| 155531067 | 171043 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4465512 | 171043 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 7 | 3 | 6 | 3.3 | Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| 155558626 | 174179 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| CHEMBL4561016 | 174179 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 3 | 6 | 2.9 | Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1 | 10.1021/acs.jmedchem.9b00869 | ||
| 44243470 | 88655 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 5.5 | CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 | 10.1016/j.bmcl.2013.01.009 | ||
| CHEMBL2334981 | 88655 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 5.5 | CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 | 10.1016/j.bmcl.2013.01.009 | ||
| CHEMBL2365395 | 88655 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 5.5 | CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 | 10.1016/j.bmcl.2013.01.009 | ||
| 18931217 | 205053 | 0 | None | -39 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 623 | 12 | 4 | 10 | 1.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL90267 | 205053 | 0 | None | -39 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 623 | 12 | 4 | 10 | 1.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 44439167 | 90112 | 0 | None | -316 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
| CHEMBL238732 | 90112 | 0 | None | -316 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 5.0 | Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5c(c4)NC(=O)CO5)CC3)cc(Cl)cc2n1 | 10.1016/j.bmcl.2006.11.031 | ||
| 71062790 | 159494 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
| CHEMBL4108274 | 159494 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1 | nan | ||
| 44420683 | 83704 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 284 | 0 | 1 | 2 | 2.6 | CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
| CHEMBL220789 | 83704 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 284 | 0 | 1 | 2 | 2.6 | CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 | 10.1021/jm0612968 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2003.05.001 | ||
| 11151653 | 90656 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397896 | 90656 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | Cc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL5084249 | 213123 | 0 | None | -38 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCN(CC)CCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 1704 | 3453 | 76 | None | -10 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 2 | 3 | 4.5 | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C | 10.1016/j.bmcl.2013.06.057 | ||
| 4331799 | 3453 | 76 | None | -10 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 2 | 3 | 4.5 | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C | 10.1016/j.bmcl.2013.06.057 | ||
| CHEMBL1334465 | 3453 | 76 | None | -10 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 2 | 3 | 4.5 | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C | 10.1016/j.bmcl.2013.06.057 | ||
| 118055337 | 176787 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 0 | 1 | 2 | 2.0 | CC1(C)CN2CCNCc3ccc(F)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4637882 | 176787 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 0 | 1 | 2 | 2.0 | CC1(C)CN2CCNCc3ccc(F)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 44582675 | 189099 | 0 | None | -436 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL515472 | 189099 | 0 | None | -436 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 3336 | 94547 | 27 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1021/jm100600y | ||
| CHEMBL1405922 | 94547 | 27 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1021/jm100600y | ||
| CHEMBL254832 | 94547 | 27 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1021/jm100600y | ||
| 16573 | 177035 | 30 | None | -16 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.2 | COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/np500893h | ||
| CHEMBL464099 | 177035 | 30 | None | -16 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.2 | COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/np500893h | ||
| 168273532 | 189582 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 450 | 3 | 2 | 3 | 7.8 | Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4C[C@@H]5CCC[C@@H](C5)C4)nc23)cc1Cl | 10.1021/acs.jmedchem.2c01170 | ||
| CHEMBL5174205 | 189582 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 450 | 3 | 2 | 3 | 7.8 | Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4C[C@@H]5CCC[C@@H](C5)C4)nc23)cc1Cl | 10.1021/acs.jmedchem.2c01170 | ||
| 23290944 | 81400 | 0 | None | -213 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| CHEMBL2164350 | 81400 | 0 | None | -213 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| 6075 | 149563 | 36 | None | -8 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 149563 | 36 | None | -8 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 44247568 | 81748 | 51 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
| CHEMBL2170062 | 81748 | 51 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 5 | 0 | 5 | 3.0 | Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 | 10.1021/jm3007323 | ||
| 16118923 | 59815 | 0 | None | -30 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 4 | 3 | 5 | 3.5 | O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1642866 | 59815 | 0 | None | -30 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 4 | 3 | 5 | 3.5 | O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1739656 | 59815 | 0 | None | -30 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 4 | 3 | 5 | 3.5 | O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 | 10.1016/j.bmc.2010.10.033 | ||
| 11695000 | 88628 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337490 | 88628 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365083 | 88628 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 122178706 | 120845 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581251 | 120845 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 3038495 | 699 | 30 | None | -22 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm100600y | ||
| 7625 | 699 | 30 | None | -22 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm100600y | ||
| CHEMBL25236 | 699 | 30 | None | -22 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm100600y | ||
| 11948707 | 165603 | 0 | None | -83 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
| CHEMBL426317 | 165603 | 0 | None | -83 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
| 5624 | 32459 | 12 | None | 5 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| CHEMBL1203324 | 32459 | 12 | None | 5 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| CHEMBL141343 | 32459 | 12 | None | 5 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| 56675413 | 65324 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834259 | 65324 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
| 134143302 | 144771 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 503 | 9 | 5 | 9 | 0.6 | CC(=O)NCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3913293 | 144771 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 503 | 9 | 5 | 9 | 0.6 | CC(=O)NCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 90181065 | 160253 | 0 | None | 5 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 | nan | ||
| CHEMBL4114519 | 160253 | 0 | None | 5 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 | nan | ||
| 155566272 | 175205 | 0 | None | 4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 543 | 8 | 3 | 8 | 5.1 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4584140 | 175205 | 0 | None | 4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 543 | 8 | 3 | 8 | 5.1 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL5089613 | 213432 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | C=C[C@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||||
| 16115654 | 136437 | 0 | None | -38 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL374562 | 136437 | 0 | None | -38 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 2.1 | Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 44451373 | 95875 | 1 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2ccc3c(c2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL261490 | 95875 | 1 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2ccc3c(c2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
| 50878551 | 90300 | 60 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL2391541 | 90300 | 60 | None | -1 | 18 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 118706296 | 120001 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 2 | 3 | 2 | 1.3 | CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310119 | 120001 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 2 | 3 | 2 | 1.3 | CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545441 | 120001 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 2 | 3 | 2 | 1.3 | CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| 134143536 | 144972 | 0 | None | 8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3914843 | 144972 | 0 | None | 8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 71459269 | 82533 | 0 | None | -1479 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 6.3 | Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12 | 10.1021/jm300943r | ||
| CHEMBL2181166 | 82533 | 0 | None | -1479 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 6.3 | Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12 | 10.1021/jm300943r | ||
| 58911532 | 90659 | 0 | None | -4 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 1.6 | CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397899 | 90659 | 0 | None | -4 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 1.6 | CCCc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 11176570 | 90675 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397915 | 90675 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 56661666 | 65325 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834260 | 65325 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1 | 10.1016/j.bmcl.2011.08.029 | ||
| 11150514 | 84439 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL223584 | 84439 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 16071847 | 59814 | 0 | None | -229 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 5 | 3 | 5 | 2.8 | NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1642865 | 59814 | 0 | None | -229 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 5 | 3 | 5 | 2.8 | NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1739655 | 59814 | 0 | None | -229 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 5 | 3 | 5 | 2.8 | NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 | 10.1016/j.bmc.2010.10.033 | ||
| 11195293 | 90643 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@]12CNCCN1C(=O)c1ccccc1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397883 | 90643 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@]12CNCCN1C(=O)c1ccccc1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 90181070 | 159978 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ccnc(OC[C@H]2CN(CC(=O)N3c4ccccc4CC3C)CCO2)c1 | nan | ||
| CHEMBL4112412 | 159978 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ccnc(OC[C@H]2CN(CC(=O)N3c4ccccc4CC3C)CCO2)c1 | nan | ||
| 136118621 | 75885 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058420 | 75885 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 4943 | 192804 | 100 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
| CHEMBL526 | 192804 | 100 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
| 135399666 | 168187 | 4 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL437314 | 168187 | 4 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 46884034 | 7832 | 0 | None | -870 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 347 | 3 | 2 | 2 | 3.3 | O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1090397 | 7832 | 0 | None | -870 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 347 | 3 | 2 | 2 | 3.3 | O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCNCC1 | 10.1016/j.bmcl.2010.01.107 | ||
| 118055294 | 176890 | 0 | None | -24 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.2 | COc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4639115 | 176890 | 0 | None | -24 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.2 | COc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 56682068 | 65326 | 0 | None | 16 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834261 | 65326 | 0 | None | 16 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 8 | 0 | 4 | 4.6 | COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| 4189 | 205185 | 91 | None | -26 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205185 | 91 | None | -26 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205185 | 91 | None | -26 | 34 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 136118651 | 75956 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058706 | 75956 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 127052458 | 140196 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818056 | 140196 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 9881119 | 203752 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80482 | 203752 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 232 | 2 | 1 | 3 | 1.7 | C[C@H](N)CN1CCc2ccc3c(c21)CCCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| 117209864 | 185442 | 1 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4870675 | 185442 | 1 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 3 | 2 | 4 | 1.5 | COc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 127052458 | 140196 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818056 | 140196 | 0 | None | -35 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 5 | 1 | 3 | 3.4 | O=C(CCCN1CCc2ccccc2C1)c1ccc(O)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 168284710 | 190987 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5195241 | 190987 | 0 | None | -17 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 135398745 | 2858 | 108 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2858 | 108 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2858 | 108 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2858 | 108 | None | -5 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 127035066 | 135885 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| CHEMBL3735434 | 135885 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 14 | 0 | 7 | 5.2 | COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| 156021327 | 177549 | 0 | None | -33 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 224 | 0 | 1 | 3 | 1.6 | Clc1ccc2c3c1OCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4648457 | 177549 | 0 | None | -33 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 224 | 0 | 1 | 3 | 1.6 | Clc1ccc2c3c1OCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 132075278 | 162082 | 0 | None | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.1 | c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4169752 | 162082 | 0 | None | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.1 | c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
| 2683 | 102402 | 24 | None | -501 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102402 | 24 | None | -501 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102402 | 24 | None | -501 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 3598 | 187228 | 73 | None | -2 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| CHEMBL496 | 187228 | 73 | None | -2 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| 136118635 | 75944 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058694 | 75944 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 1 | 3 | 2 | 2.3 | O=C1NC(=S)N/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
| 16115148 | 84401 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 0.9 | O=C1c2c(F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL223469 | 84401 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 0.9 | O=C1c2c(F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 156014235 | 176594 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 240 | 0 | 1 | 3 | 2.4 | Clc1ccc2c3c1SCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4634836 | 176594 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 240 | 0 | 1 | 3 | 2.4 | Clc1ccc2c3c1SCCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 53324045 | 56761 | 0 | None | -9 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL1644980 | 56761 | 0 | None | -9 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 11253485 | 141434 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 204 | 0 | 2 | 3 | 0.5 | O=C1c2c(O)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL387344 | 141434 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 204 | 0 | 2 | 3 | 0.5 | O=C1c2c(O)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 44409101 | 140706 | 0 | None | -23 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 233 | 2 | 1 | 4 | 1.0 | COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL383051 | 140706 | 0 | None | -23 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 233 | 2 | 1 | 4 | 1.0 | COCc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 18735305 | 203215 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76301 | 203215 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2cc(F)c(I)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 44404883 | 71703 | 26 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL197664 | 71703 | 26 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.0 | CN(C)CCc1cn(C)c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 44364215 | 39375 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1ccc2[nH]cc(C3CC3N)c2c1 | 10.1021/jm980318q | ||
| CHEMBL147434 | 39375 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1ccc2[nH]cc(C3CC3N)c2c1 | 10.1021/jm980318q | ||
| 118464425 | 137768 | 0 | None | 3 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770981 | 137768 | 0 | None | 3 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 3 | 2 | 7 | 2.8 | CCOC(=O)c1cccc(NC2=NC(N(C)C)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 145976085 | 163102 | 0 | None | 2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4204576 | 163102 | 0 | None | 2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 44407453 | 74039 | 0 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202538 | 74039 | 0 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 5.0 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl | 10.1016/j.bmcl.2005.10.029 | ||
| 11163458 | 136032 | 0 | None | -7 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 298 | 2 | 1 | 2 | 2.8 | CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL373905 | 136032 | 0 | None | -7 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 298 | 2 | 1 | 2 | 2.8 | CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 49865831 | 15970 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 2 | 1 | 3 | 3.0 | CCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224033 | 15970 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 2 | 1 | 3 | 3.0 | CCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 132060720 | 161927 | 0 | None | 2 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4167315 | 161927 | 0 | None | 2 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| 11206703 | 90647 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397887 | 90647 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@@H]1CNC[C@H]2Cc3ccccc3C(=O)N12 | 10.1016/j.bmcl.2013.04.061 | ||
| 10528314 | 171305 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL446942 | 171305 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(C)(C)C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 240 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| 2769 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| 44279790 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| 660 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| CHEMBL1729 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| CHEMBL560739 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| DB00604 | 929 | 39 | None | -6 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1016/j.bmcl.2013.05.018 | ||
| 18005120 | 193288 | 0 | None | -100 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 460 | 4 | 1 | 5 | 5.9 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL54560 | 193288 | 0 | None | -100 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 460 | 4 | 1 | 5 | 5.9 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298086 | 193539 | 0 | None | -39 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55079 | 193539 | 0 | None | -39 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298234 | 195050 | 0 | None | -25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 6.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL56508 | 195050 | 0 | None | -25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 6.2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 10255548 | 86322 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL232046 | 86322 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 5.1 | COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 2726 | 904 | 64 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 621 | 904 | 64 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 83 | 904 | 64 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| CHEMBL71 | 904 | 64 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| DB00477 | 904 | 64 | None | -19 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 25235287 | 177132 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 302 | 0 | 1 | 2 | 4.5 | Cc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2 | 10.1021/acs.jnatprod.9b01107 | ||
| CHEMBL4642292 | 177132 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 302 | 0 | 1 | 2 | 4.5 | Cc1nccc2c1C(C)(C)Nc1cc(Br)ccc1-2 | 10.1021/acs.jnatprod.9b01107 | ||
| 136188797 | 57009 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651094 | 57009 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
| 136030744 | 57008 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
| CHEMBL1651093 | 57008 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
| 11288140 | 84331 | 0 | None | -12 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 0.7 | N#Cc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL223090 | 84331 | 0 | None | -12 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 0.7 | N#Cc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 46830177 | 7963 | 29 | None | -4365 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 378 | 6 | 2 | 4 | 3.6 | COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1091105 | 7963 | 29 | None | -4365 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 378 | 6 | 2 | 4 | 3.6 | COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| 118055319 | 176942 | 0 | None | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 2 | 2.6 | FC(F)(F)CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4639970 | 176942 | 0 | None | -20 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 2 | 2.6 | FC(F)(F)CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 10050022 | 165792 | 0 | None | -39 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL427398 | 165792 | 0 | None | -39 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 5.4 | COc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 49850870 | 56080 | 0 | None | -3162 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 6 | 1 | 5 | 3.3 | Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1631535 | 56080 | 0 | None | -3162 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 6 | 1 | 5 | 3.3 | Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 49850570 | 56163 | 0 | None | -2511 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 4.0 | CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
| CHEMBL1632220 | 56163 | 0 | None | -2511 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 6 | 2 | 4 | 4.0 | CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 | 10.1021/jm100714c | ||
| 44298140 | 100080 | 0 | None | -79 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL291510 | 100080 | 0 | None | -79 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 18931172 | 105680 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1Cl | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL313745 | 105680 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1Cl | 10.1016/S0960-894X(96)00503-3 | ||
| 18931163 | 205038 | 0 | None | -50 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 569 | 11 | 3 | 9 | 2.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL90175 | 205038 | 0 | None | -50 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 569 | 11 | 3 | 9 | 2.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 18931420 | 205109 | 0 | None | -251 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 628 | 12 | 3 | 9 | 3.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL90565 | 205109 | 0 | None | -251 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 628 | 12 | 3 | 9 | 3.4 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 127052465 | 140187 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3817911 | 140187 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
| 10835585 | 101378 | 0 | None | -63 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL300618 | 101378 | 0 | None | -63 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| 1836 | 2544 | 56 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 3340 | 2544 | 56 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 5281040 | 2544 | 56 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| CHEMBL787 | 2544 | 56 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| DB00471 | 2544 | 56 | None | -69 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 10597140 | 62701 | 0 | None | -251 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
| CHEMBL1788231 | 62701 | 0 | None | -251 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
| 1703 | 3450 | 90 | None | -158 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 2 | 2 | 5 | 3.7 | O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C | 10.1016/s0960-894x(01)00343-2 | ||
| 6604926 | 3450 | 90 | None | -158 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 2 | 2 | 5 | 3.7 | O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL291536 | 3450 | 90 | None | -158 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 319 | 2 | 2 | 5 | 3.7 | O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C | 10.1016/s0960-894x(01)00343-2 | ||
| 44343212 | 9730 | 0 | None | -100 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
| CHEMBL114012 | 9730 | 0 | None | -100 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 5 | 0 | 3 | 4.5 | CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 | 10.1021/jm991151j | ||
| 49865890 | 15991 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 310 | 1 | 1 | 3 | 3.5 | Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224106 | 15991 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 310 | 1 | 1 | 3 | 3.5 | Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 57799324 | 88649 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337501 | 88649 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365359 | 88649 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 11312173 | 181519 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | Fc1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4782005 | 181519 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 3.1 | Fc1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 | 10.1016/j.bmcl.2020.127669 | ||
| 127034715 | 135858 | 0 | None | 35 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735261 | 135858 | 0 | None | 35 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 537 | 15 | 0 | 8 | 5.2 | COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 107715 | 199250 | 18 | None | -14 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL1255837 | 199250 | 18 | None | -14 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL601773 | 199250 | 18 | None | -14 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm100600y | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm100600y | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 10.1021/jm100600y | ||
| 11694810 | 120015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310123 | 120015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545474 | 120015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| 11694810 | 120015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3310123 | 120015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545474 | 120015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 1 | 3 | 2 | 1.3 | CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| 10531 | 1387 | 18 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 121 | 1387 | 18 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 888 | 1387 | 18 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL1732 | 1387 | 18 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00320 | 1387 | 18 | None | -15 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 118706301 | 120014 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 265 | 1 | 2 | 1 | 2.2 | CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310122 | 120014 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 265 | 1 | 2 | 1 | 2.2 | CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545473 | 120014 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 265 | 1 | 2 | 1 | 2.2 | CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.05.027 | ||
| 168293874 | 191571 | 0 | None | 5 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5204071 | 191571 | 0 | None | 5 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 2 | 3 | 3 | 3.3 | COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 145988313 | 166671 | 0 | None | 104 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| CHEMBL4292326 | 166671 | 0 | None | 104 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 6 | 2 | 2 | 5.0 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| 168268877 | 189367 | 0 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5170784 | 189367 | 0 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 2 | 3 | 3 | 3.8 | COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1 | 10.1021/acsmedchemlett.1c00694 | ||
| 127035064 | 135935 | 0 | None | 23 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| CHEMBL3735911 | 135935 | 0 | None | 23 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| 135 | 2486 | 38 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2486 | 38 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2486 | 38 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2486 | 38 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2486 | 38 | None | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 11681111 | 120060 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.4 | CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343666 | 120060 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.4 | CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545815 | 120060 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 3 | 2 | 2 | 2.4 | CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| 16062783 | 154471 | 0 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 3 | 1 | 4 | 3.5 | COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL401509 | 154471 | 0 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 3 | 1 | 4 | 3.5 | COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 14049689 | 196756 | 8 | None | 20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
| CHEMBL577294 | 196756 | 8 | None | 20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1541 | 28 | 21 | 42 | -12.4 | CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O | nan | ||
| 58911653 | 90671 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397911 | 90671 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 244 | 1 | 1 | 2 | 1.5 | CCc1cc(C)c2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 57799306 | 88666 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337493 | 88666 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365469 | 88666 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 0 | 2 | 2 | 1.1 | O=C1N[C@H]2CNC[C@@H]2c2cccc(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 9899500 | 67532 | 0 | None | -14 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL191054 | 67532 | 0 | None | -14 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 2.4 | Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 168281367 | 190297 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OCC3CC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5185086 | 190297 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 0 | 5 | 4.3 | COc1cc2c(cc1OC)-c1c(OC)c(OCC3CC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 118729232 | 120150 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402655 | 120150 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547008 | 120150 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 5.0 | CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCCCC2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 90188146 | 120173 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402674 | 120173 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547135 | 120173 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 16062912 | 154601 | 0 | None | -56 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL402164 | 154601 | 0 | None | -56 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CCNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 71461050 | 82550 | 0 | None | -13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 5.0 | CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| CHEMBL2181189 | 82550 | 0 | None | -13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 5.0 | CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| 45486891 | 195255 | 0 | None | -83 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL566379 | 195255 | 0 | None | -83 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| 145974750 | 164192 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4217810 | 164192 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 127052465 | 140187 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3817911 | 140187 | 0 | None | -10 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 5 | 0 | 3 | 3.6 | O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1 | 10.1016/j.bmc.2016.05.053 | ||
| 89901924 | 120181 | 0 | None | -100 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402667 | 120181 | 0 | None | -100 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547153 | 120181 | 0 | None | -100 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 16062651 | 95188 | 0 | None | -13 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.1 | CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL257944 | 95188 | 0 | None | -13 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 285 | 3 | 1 | 3 | 3.1 | CC(C)Cc1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| 132007291 | 148401 | 0 | None | -33 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.3 | Fc1ccc(C#Cc2nc(NCc3cccc(Cl)c3)c3nc[nH]c3n2)cc1F | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3941980 | 148401 | 0 | None | -33 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.3 | Fc1ccc(C#Cc2nc(NCc3cccc(Cl)c3)c3nc[nH]c3n2)cc1F | 10.1021/acs.jmedchem.6b01183 | ||
| 1782 | 2472 | 81 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 241 | 2472 | 81 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 4168 | 2472 | 81 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| CHEMBL86 | 2472 | 81 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| DB01233 | 2472 | 81 | None | -3 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 11171955 | 90648 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397888 | 90648 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.2 | C[C@@H]1c2ccccc2C(=O)N2CCNC[C@@H]12 | 10.1016/j.bmcl.2013.04.061 | ||
| 16115515 | 137058 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 290 | 0 | 1 | 2 | 2.5 | O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL375575 | 137058 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 290 | 0 | 1 | 2 | 2.5 | O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 2775690 | 92565 | 47 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
| CHEMBL2441619 | 92565 | 47 | None | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
| 11848624 | 88702 | 0 | None | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | 10.1016/j.bmcl.2009.09.024 | ||
| CHEMBL236587 | 88702 | 0 | None | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | 10.1016/j.bmcl.2009.09.024 | ||
| 46230100 | 197629 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590531 | 197629 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| 118717211 | 120054 | 0 | None | -33 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343663 | 120054 | 0 | None | -33 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545801 | 120054 | 0 | None | -33 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 2 | 3 | 2 | 1.7 | CCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21 | 10.1016/j.bmc.2014.09.005 | ||
| 44451422 | 166860 | 2 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 0 | 1 | 1 | 2.2 | Fc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL429689 | 166860 | 2 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 0 | 1 | 1 | 2.2 | Fc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 75201901 | 165861 | 14 | None | -301 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 165861 | 14 | None | -301 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 118729238 | 120154 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402659 | 120154 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547012 | 120154 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 118729240 | 120155 | 0 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402660 | 120155 | 0 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547013 | 120155 | 0 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 46884098 | 8088 | 0 | None | -954 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 286 | 4 | 2 | 2 | 3.1 | O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| CHEMBL1092029 | 8088 | 0 | None | -954 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 286 | 4 | 2 | 2 | 3.1 | O=C(NCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN1 | 10.1016/j.bmcl.2010.01.107 | ||
| 142601329 | 185925 | 3 | None | -63 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4877603 | 185925 | 3 | None | -63 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 122187379 | 122498 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 441 | 5 | 0 | 5 | 5.3 | C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609144 | 122498 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 441 | 5 | 0 | 5 | 5.3 | C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 122483223 | 137568 | 0 | None | -5 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 8 | 0 | 5 | 5.8 | COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3764650 | 137568 | 0 | None | -5 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 8 | 0 | 5 | 5.8 | COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3765874 | 137568 | 0 | None | -5 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 8 | 0 | 5 | 5.8 | COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
| 122187382 | 122500 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCN1CC(c2ccccc2)c2cc(OC)c(OC)c3c2C1Cc1cc2c(cc1-3)OCO2 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609147 | 122500 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 429 | 4 | 0 | 5 | 5.2 | CCN1CC(c2ccccc2)c2cc(OC)c(OC)c3c2C1Cc1cc2c(cc1-3)OCO2 | 10.1016/j.bmcl.2015.07.012 | ||
| 137646281 | 157252 | 0 | None | -95 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4083252 | 157252 | 0 | None | -95 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| 122178711 | 120850 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581256 | 120850 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| 46933845 | 15971 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224034 | 15971 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 1 | 1 | 3 | 3.9 | O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 10.1021/jm9803525 | ||
| 25117676 | 198765 | 0 | None | -831 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| CHEMBL598444 | 198765 | 0 | None | -831 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| 53325242 | 56760 | 0 | None | -2 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL1644978 | 56760 | 0 | None | -2 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 21854226 | 124071 | 4 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 3 | 2 | 2 | 2.5 | Oc1cccc2[nH]cc(CCN3CCCC3)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL364061 | 124071 | 4 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 3 | 2 | 2 | 2.5 | Oc1cccc2[nH]cc(CCN3CCCC3)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 2286 | 3122 | 48 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3122 | 48 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3122 | 48 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3122 | 48 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3122 | 48 | None | -5 | 30 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 59752589 | 179236 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1Cl)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4745055 | 179236 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 4.1 | CC(C)n1nc2c(c1-c1ccc(Cl)cc1Cl)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 11425677 | 181743 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 1 | 1 | 3 | 3.0 | CC(C)(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4784424 | 181743 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 1 | 1 | 3 | 3.0 | CC(C)(C)n1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 145975946 | 163357 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 307 | 8 | 1 | 4 | 3.9 | CCCCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4207355 | 163357 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 307 | 8 | 1 | 4 | 3.9 | CCCCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
| 2406 | 99925 | 84 | None | -27 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL290106 | 99925 | 84 | None | -27 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| 3198 | 203792 | 73 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203792 | 73 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203792 | 73 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 118055192 | 176449 | 0 | None | -46 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.7 | CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4632419 | 176449 | 0 | None | -46 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 1.7 | CC1CN2CCNCc3cccc1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 10947658 | 28475 | 0 | None | -39 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL137781 | 28475 | 0 | None | -39 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 44409095 | 75662 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 219 | 1 | 1 | 4 | 0.8 | COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL205671 | 75662 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 219 | 1 | 1 | 4 | 0.8 | COc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 71618702 | 142838 | 0 | None | 1 | 4 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 | nan | ||
| CHEMBL3897835 | 142838 | 0 | None | 1 | 4 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 400 | 5 | 0 | 4 | 3.4 | CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 | nan | ||
| 156014421 | 176621 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 0 | 1 | 3 | 1.4 | [O-][S+]1CCN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4635293 | 176621 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 0 | 1 | 3 | 1.4 | [O-][S+]1CCN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 25122654 | 198834 | 0 | None | -54 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 3 | 2 | 5 | 3.0 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 | 10.1021/jm901674f | ||
| CHEMBL598851 | 198834 | 0 | None | -54 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 3 | 2 | 5 | 3.0 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 | 10.1021/jm901674f | ||
| 135476741 | 154973 | 9 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.8 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL404232 | 154973 | 9 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.8 | CN1C(=N)N(C)/C(=C/c2c[nH]c3ccccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 117209962 | 184276 | 1 | None | -16 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.8 | Cc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4852622 | 184276 | 1 | None | -16 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 242 | 2 | 2 | 3 | 1.8 | Cc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 136118716 | 92613 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442271 | 92613 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 180 | 397 | 50 | None | -35 | 39 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -35 | 39 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -35 | 39 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -35 | 39 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -35 | 39 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 122178703 | 120842 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581248 | 120842 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 5 | 0 | 5 | 4.3 | COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| 127049980 | 140090 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3814485 | 140090 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 525 | 12 | 0 | 5 | 5.9 | COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 134144970 | 150228 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 8 | 3 | 9 | 2.3 | CCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3956531 | 150228 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 8 | 3 | 9 | 2.3 | CCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 12901777 | 137458 | 26 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 0.8 | O=C1c2ccccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL376455 | 137458 | 26 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 0 | 1 | 2 | 0.8 | O=C1c2ccccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 44407337 | 73841 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202324 | 73841 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 3.4 | C=CCN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 45378934 | 199951 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
| CHEMBL605971 | 199951 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.1 | Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12 | 10.1021/jm901674f | ||
| 135449090 | 188715 | 3 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 1 | 1 | 2 | 1.9 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL512332 | 188715 | 3 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 1 | 1 | 2 | 1.9 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 4595 | 176131 | 102 | None | 2 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| CHEMBL46 | 176131 | 102 | None | 2 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| 136118729 | 92616 | 0 | None | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442274 | 92616 | 0 | None | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 10150497 | 3999 | 41 | None | -223 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.1021/jm070521y | ||
| 3240 | 3999 | 41 | None | -223 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.1021/jm070521y | ||
| CHEMBL392760 | 3999 | 41 | None | -223 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 4 | 1 | 7 | 2.7 | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 | 10.1021/jm070521y | ||
| 168 | 3907 | 11 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
| 6604042 | 3907 | 11 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL309760 | 3907 | 11 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 10.1016/j.bmcl.2003.05.001 | ||
| 10430183 | 203906 | 0 | None | -457 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 2.1 | O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL81728 | 203906 | 0 | None | -457 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 2.1 | O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
| 118055338 | 176601 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.4 | CC1CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4634942 | 176601 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 222 | 0 | 1 | 2 | 2.4 | CC1CN2CCNCc3ccc(Cl)c1c32 | 10.1016/j.bmcl.2019.126929 | ||
| 56852956 | 111538 | 1 | None | -12 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289656 | 111538 | 1 | None | -12 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 71618636 | 148341 | 0 | None | -7 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
| CHEMBL3941579 | 148341 | 0 | None | -7 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
| 56665075 | 65319 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834254 | 65319 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmcl.2011.08.029 | ||
| 1547484 | 925 | 70 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 925 | 70 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 925 | 70 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 925 | 70 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 925 | 70 | None | -8 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 44582678 | 180982 | 0 | None | -257 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL476839 | 180982 | 0 | None | -257 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 136188797 | 57009 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
| CHEMBL1651094 | 57009 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/np100588c | ||
| 102 | 4051 | 44 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 3659 | 4051 | 44 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 8969 | 4051 | 44 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| CHEMBL15245 | 4051 | 44 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| DB01392 | 4051 | 44 | None | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 24826787 | 90652 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397892 | 90652 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 24826869 | 90657 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397897 | 90657 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1ccc2c(c1)C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 145964159 | 163766 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4212435 | 163766 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 3 | 2 | 4 | 2.6 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 168281307 | 190202 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5183799 | 190202 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 56852956 | 111538 | 1 | None | -12 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289656 | 111538 | 1 | None | -12 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 11347858 | 136500 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 286 | 1 | 2 | 3 | 1.3 | O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL374659 | 136500 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 286 | 1 | 2 | 3 | 1.3 | O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 136030744 | 57008 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651093 | 57008 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 352 | 3 | 2 | 6 | 2.5 | C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C | 10.1021/acs.jnatprod.7b00317 | ||
| 134149008 | 147917 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 353 | 3 | 3 | 8 | -0.1 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)O)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3938006 | 147917 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 353 | 3 | 3 | 8 | -0.1 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)O)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| 16115521 | 84228 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL222466 | 84228 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 155566338 | 175328 | 0 | None | -446 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 4 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4587144 | 175328 | 0 | None | -446 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 4 | 4 | 8 | 1.4 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 134134668 | 143709 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 6 | 4 | 8 | 1.4 | CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3904817 | 143709 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 6 | 4 | 8 | 1.4 | CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| 2477 | 732 | 54 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 36 | 732 | 54 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 437 | 732 | 54 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| CHEMBL49 | 732 | 54 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| DB00490 | 732 | 54 | None | -13 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 11666237 | 88669 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337496 | 88669 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365472 | 88669 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 236 | 0 | 2 | 2 | 1.4 | Cc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 11609026 | 88684 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337500 | 88684 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365705 | 88684 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.8 | O=C1N[C@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 44409031 | 74592 | 0 | None | -30 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL203230 | 74592 | 0 | None | -30 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 223 | 0 | 1 | 3 | 1.5 | C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 122178702 | 120841 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581247 | 120841 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| 168295984 | 191612 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5204813 | 191612 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 5.0 | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 134155462 | 150565 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 3 | 3 | 8 | -0.2 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3959210 | 150565 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 3 | 3 | 8 | -0.2 | CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| 10058473 | 20440 | 0 | None | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2sccc12 | 10.1021/jm980692q | ||
| CHEMBL13086 | 20440 | 0 | None | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 194 | 3 | 1 | 2 | 2.3 | CN(C)CCc1c[nH]c2sccc12 | 10.1021/jm980692q | ||
| 71681898 | 90644 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 0 | 0 | 2 | 1.0 | CN1CCN2C(=O)c3ccccc3C[C@@H]2C1 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397884 | 90644 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 0 | 0 | 2 | 1.0 | CN1CCN2C(=O)c3ccccc3C[C@@H]2C1 | 10.1016/j.bmcl.2013.04.061 | ||
| 49865832 | 15972 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.3 | CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224035 | 15972 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.3 | CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 136118618 | 75882 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058417 | 75882 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 9859257 | 203403 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL77880 | 203403 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.3 | C[C@H](N)CN1CCc2ccc3c(c21)CCO3 | 10.1016/j.bmcl.2003.05.001 | ||
| 2105 | 2993 | 34 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 47811 | 2993 | 34 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 48 | 2993 | 34 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| CHEMBL531 | 2993 | 34 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| DB01186 | 2993 | 34 | None | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 71028 | 83929 | 23 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 1 | 2 | 2 | 2.4 | COc1ccc2[nH]c3c(c2c1)CCNC3C | 10.1021/jm100600y | ||
| CHEMBL221811 | 83929 | 23 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 1 | 2 | 2 | 2.4 | COc1ccc2[nH]c3c(c2c1)CCNC3C | 10.1021/jm100600y | ||
| 25122652 | 198968 | 0 | None | -134 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 3 | 2 | 5 | 3.8 | Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12 | 10.1021/jm901674f | ||
| CHEMBL599663 | 198968 | 0 | None | -134 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 3 | 2 | 5 | 3.8 | Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12 | 10.1021/jm901674f | ||
| 11653679 | 180599 | 1 | None | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL476108 | 180599 | 1 | None | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2008.06.030 | ||
| 56707820 | 2855 | 34 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | nan | ||
| 9155 | 2855 | 34 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | nan | ||
| CHEMBL4548689 | 2855 | 34 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 5 | 3 | 6 | 2.2 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N | nan | ||
| 5009938 | 15220 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 306 | 4 | 0 | 3 | 3.8 | c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| CHEMBL1214829 | 15220 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 306 | 4 | 0 | 3 | 3.8 | c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| 11393128 | 182269 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.8 | CC(C)n1nc2c(c1-c1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4791646 | 182269 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.8 | CC(C)n1nc2c(c1-c1ccc(C(F)(F)F)cc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 10527432 | 36042 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2 | 10.1021/jm990388c | ||
| CHEMBL14458 | 36042 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 3 | 1 | 3 | 6.0 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2 | 10.1021/jm990388c | ||
| 10550405 | 37809 | 0 | None | -5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14606 | 37809 | 0 | None | -5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 5.7 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 75306277 | 108754 | 0 | None | -2 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| CHEMBL3217984 | 108754 | 0 | None | -2 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| 166 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
| 3045227 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76781 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2003.05.001 | ||
| 166 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
| 3045227 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL76781 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 10.1016/j.bmcl.2005.10.029 | ||
| 11536843 | 114612 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343673 | 114612 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 11500509 | 120057 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343670 | 120057 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545812 | 120057 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 307 | 1 | 2 | 2 | 2.1 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 31101 | 719 | 39 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 35 | 719 | 39 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 403 | 719 | 39 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| CHEMBL493 | 719 | 39 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| DB01200 | 719 | 39 | None | -26 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 10331436 | 321 | 7 | None | -25 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
| 160 | 321 | 7 | None | -25 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
| CHEMBL133455 | 321 | 7 | None | -25 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
| 242 | 467 | 117 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
| 34 | 467 | 117 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
| 60795 | 467 | 117 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
| CHEMBL1112 | 467 | 117 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
| DB01238 | 467 | 117 | None | -1 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
| 44364163 | 39535 | 1 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 190 | 1 | 2 | 1 | 2.1 | NC1CC1c1c[nH]c2ccc(F)cc12 | 10.1021/jm980318q | ||
| CHEMBL147656 | 39535 | 1 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 190 | 1 | 2 | 1 | 2.1 | NC1CC1c1c[nH]c2ccc(F)cc12 | 10.1021/jm980318q | ||
| 118464420 | 137704 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL3770342 | 137704 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 127035063 | 135950 | 0 | None | 21 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
| CHEMBL3736149 | 135950 | 0 | None | 21 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 | 10.1039/C4MD00418C | ||
| 44404886 | 71866 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 6 | 1 | 3 | 3.3 | CCCCn1cc(CCN(C)C)c2c(O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL198124 | 71866 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 6 | 1 | 3 | 3.3 | CCCCn1cc(CCN(C)C)c2c(O)cccc21 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL5077293 | 212710 | 0 | None | -17 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | COc1ccccc1-c1cc(C2CCNC2)ccc1Cl | 10.1021/acs.jmedchem.1c00110 | ||||
| 136118648 | 75953 | 0 | None | 1 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058703 | 75953 | 0 | None | 1 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 118729266 | 120175 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402676 | 120175 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547137 | 120175 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 10837002 | 35124 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14374 | 35124 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1021/jm990388c | ||
| 18475647 | 196025 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 334 | 5 | 2 | 3 | 4.7 | CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL57135 | 196025 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 334 | 5 | 2 | 3 | 4.7 | CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
| 10837002 | 35124 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL14374 | 35124 | 0 | None | -79 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 4 | 1 | 5 | 5.2 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298175 | 100460 | 0 | None | -39 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL294030 | 100460 | 0 | None | -39 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 11742218 | 194110 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.4 | CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55792 | 194110 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.4 | CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 18931202 | 205066 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL90346 | 205066 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 7 | 2 | 5 | 2.4 | COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| 73350823 | 102044 | 0 | None | -33 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2424668 | 102044 | 0 | None | -33 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL3040578 | 102044 | 0 | None | -33 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 10257042 | 202648 | 0 | None | -12 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL71707 | 202648 | 0 | None | -12 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 9866423 | 71945 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198330 | 71945 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 24887527 | 79601 | 0 | None | -100 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.9 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL212886 | 79601 | 0 | None | -100 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.9 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 24887290 | 79824 | 0 | None | -630 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL213839 | 79824 | 0 | None | -630 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 44414051 | 165663 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 5.0 | COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL426684 | 165663 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 5.0 | COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 10454231 | 168384 | 0 | None | -79 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL438963 | 168384 | 0 | None | -79 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 0 | 4 | 4.1 | COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 11292933 | 56085 | 39 | None | -2511 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1631540 | 56085 | 39 | None | -2511 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 44298100 | 194381 | 0 | None | -158 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL56050 | 194381 | 0 | None | -158 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.5 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 153287551 | 169374 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 1 | 0 | 2 | 3.8 | CC(=O)N1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4441621 | 169374 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 1 | 0 | 2 | 3.8 | CC(=O)N1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C | 10.1021/acsmedchemlett.9b00225 | ||
| 153287553 | 170528 | 0 | None | -79 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4457754 | 170528 | 0 | None | -79 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 17989823 | 151532 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.0 | COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL396748 | 151532 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 6 | 0 | 4 | 5.0 | COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 10813396 | 98250 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL277732 | 98250 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.6 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2 | 10.1021/jm990388c | ||
| 18357723 | 193838 | 0 | None | -31 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55388 | 193838 | 0 | None | -31 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Br)ccc21 | 10.1016/s0960-894x(00)00365-6 | ||
| 44298129 | 194273 | 0 | None | -125 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 364 | 3 | 1 | 4 | 4.3 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55958 | 194273 | 0 | None | -125 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 364 | 3 | 1 | 4 | 4.3 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 2028 | 2919 | 77 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2919 | 77 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2919 | 77 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2919 | 77 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2919 | 77 | None | -40 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 136020617 | 57010 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/np100588c | ||
| CHEMBL1651095 | 57010 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/np100588c | ||
| 132060770 | 162077 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4169689 | 162077 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 135367820 | 164258 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 2.2 | Fc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| CHEMBL4218672 | 164258 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 2.2 | Fc1ccc(-c2noc3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| 135846981 | 92606 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1/N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442265 | 92606 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1/N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL5072247 | 212494 | 5 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||||
| 145980271 | 165928 | 0 | None | 1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 8 | 1 | 3 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4278465 | 165928 | 0 | None | 1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 8 | 1 | 3 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 71452172 | 83091 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
| CHEMBL2203551 | 83091 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
| 46230100 | 197629 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590531 | 197629 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 231 | 0 | 2 | 3 | 0.9 | Cc1ccc2c(c1)N1CCNCCC1NC2=O | 10.1016/j.bmcl.2009.12.014 | ||
| 127049981 | 140056 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3813789 | 140056 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 573 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 135464118 | 92614 | 0 | None | -1 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442272 | 92614 | 0 | None | -1 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 1 | 4 | 2 | 1.9 | N=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 155556596 | 173841 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 5 | 4 | 7 | 3.1 | OC[C@@]12C[C@@H]1[C@@H](n1cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b00689 | ||
| CHEMBL4552895 | 173841 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 5 | 4 | 7 | 3.1 | OC[C@@]12C[C@@H]1[C@@H](n1cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b00689 | ||
| 161 | 741 | 3 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
| 4284720 | 741 | 3 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
| CHEMBL1255834 | 741 | 3 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | nan | ||
| 58911644 | 90655 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397895 | 90655 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1cccc2c1C(=O)N1CCNC[C@H]1C2 | 10.1016/j.bmcl.2013.04.061 | ||
| 136020617 | 57010 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL1651095 | 57010 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 44407460 | 139807 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL380763 | 139807 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.4 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1 | 10.1016/j.bmcl.2005.10.029 | ||
| 90181061 | 160312 | 0 | None | 1 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
| CHEMBL4115017 | 160312 | 0 | None | 1 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
| 145 | 140 | 48 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| 1832 | 140 | 48 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| CHEMBL7257 | 140 | 48 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| DB14010 | 140 | 48 | None | -87 | 30 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | 10.1021/jm050663x | ||
| 2726 | 904 | 64 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
| 621 | 904 | 64 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
| 83 | 904 | 64 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
| CHEMBL71 | 904 | 64 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
| DB00477 | 904 | 64 | None | -19 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm100600y | ||
| 72735042 | 105816 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 293 | 2 | 3 | 2 | 1.6 | NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092763 | 105816 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 293 | 2 | 3 | 2 | 1.6 | NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139089 | 105816 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 293 | 2 | 3 | 2 | 1.6 | NC(N)=NC(=O)/C=C/c1ccc2c(c1)C(O)c1ccccc1-2 | 10.1016/j.bmc.2013.10.010 | ||
| 127036953 | 136977 | 0 | None | -5 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3754166 | 136977 | 0 | None | -5 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 118709751 | 113029 | 0 | None | -407 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL3321792 | 113029 | 0 | None | -407 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.5 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F | 10.1016/j.bmcl.2014.07.018 | ||
| 136118653 | 92608 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442267 | 92608 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 54764240 | 68511 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL1922539 | 68511 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 2.7 | CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL4592872 | 212257 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@H]1c1ccc(F)cc1 | nan | ||||
| 58405078 | 110194 | 0 | None | -6 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 5 | 1 | 5 | 3.0 | Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1 | 10.1021/ml500082j | ||
| CHEMBL3260335 | 110194 | 0 | None | -6 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 310 | 5 | 1 | 5 | 3.0 | Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1 | 10.1021/ml500082j | ||
| 398712 | 77501 | 5 | None | -52 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 417 | 9 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1021/jm0508641 | ||
| CHEMBL209324 | 77501 | 5 | None | -52 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 417 | 9 | 1 | 5 | 2.9 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1021/jm0508641 | ||
| 9859144 | 67009 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.7 | Clc1ccc2c(c1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL188605 | 67009 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.7 | Clc1ccc2c(c1)N1CCNCC1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 122178701 | 120840 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581246 | 120840 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 9 | 0 | 5 | 5.4 | CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 122178708 | 120847 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581253 | 120847 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C | 10.1021/acs.jnatprod.2c00365 | ||
| 2884131 | 166344 | 7 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4286420 | 166344 | 7 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 275 | 1 | 3 | 5 | 2.2 | NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 71655748 | 87383 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 359 | 5 | 1 | 4 | 4.8 | CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2 | 10.1021/jm400181k | ||
| CHEMBL2338343 | 87383 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 359 | 5 | 1 | 4 | 4.8 | CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2 | 10.1021/jm400181k | ||
| 142601335 | 185829 | 0 | None | -44 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4876193 | 185829 | 0 | None | -44 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 256 | 2 | 2 | 3 | 2.2 | Cc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 134157367 | 153352 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 517 | 10 | 5 | 9 | 1.0 | CC(=O)NCCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3983143 | 153352 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 517 | 10 | 5 | 9 | 1.0 | CC(=O)NCCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 11644842 | 88654 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337105 | 88654 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365394 | 88654 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 244 | 1 | 2 | 2 | 1.9 | Cc1cc(C(C)C)cc2c1C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 4098 | 32274 | 24 | None | -14 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32274 | 24 | None | -14 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32274 | 24 | None | -14 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL4557026 | 212244 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccn1 | nan | ||||
| 54764241 | 68510 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL1922538 | 68510 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.3 | C/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| 18735313 | 203216 | 1 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL76307 | 203216 | 1 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.1 | C[C@H](N)CN1CCc2ccc(Cl)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 24826868 | 90637 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397877 | 90637 | 1 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2cc(Cl)ccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 127049979 | 140106 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| CHEMBL3814708 | 140106 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 481 | 12 | 0 | 5 | 5.8 | COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1016/j.bmcl.2016.05.079 | ||
| 5282379 | 193304 | 64 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
| CHEMBL547 | 193304 | 64 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | nan | ||
| 118729242 | 120160 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402661 | 120160 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547028 | 120160 | 0 | None | -1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(F)(F)F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 181743 | 177987 | 3 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL467094 | 177987 | 3 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 181743 | 177987 | 3 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| CHEMBL467094 | 177987 | 3 | None | -275 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| 16115511 | 84399 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL223466 | 84399 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 1 | 1 | 2 | 2.0 | CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 122178709 | 120848 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581254 | 120848 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 4.0 | C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 4407909 | 192254 | 1 | None | 4 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5182943 | 192254 | 1 | None | 4 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| CHEMBL5221893 | 192254 | 1 | None | 4 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 118055233 | 176684 | 0 | None | -38 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 214 | 0 | 1 | 2 | 2.0 | c1cc2c3c(c1)C1(CCC1)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4636196 | 176684 | 0 | None | -38 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 214 | 0 | 1 | 2 | 2.0 | c1cc2c3c(c1)C1(CCC1)CN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 11448649 | 83006 | 0 | None | -27 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL219734 | 83006 | 0 | None | -27 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 272 | 1 | 1 | 3 | 1.7 | O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12 | 10.1021/jm0612968 | ||
| 29101 | 71865 | 1 | None | -10 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 5 | 2 | 4 | 1.8 | CN(C)CCc1cn(C)c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL198123 | 71865 | 1 | None | -10 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 5 | 2 | 4 | 1.8 | CN(C)CCc1cn(C)c2cccc(OP(=O)(O)O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 71061709 | 148983 | 0 | None | -3 | 12 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL3946540 | 148983 | 0 | None | -3 | 12 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 11222829 | 90666 | 0 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cccc(C(F)(F)F)c2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397906 | 90666 | 0 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2cccc(C(F)(F)F)c2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 162669941 | 182063 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 409 | 6 | 4 | 8 | 1.8 | CC(C)C(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C(C)C | 10.1016/j.bmcl.2020.127599 | ||
| CHEMBL4788883 | 182063 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 409 | 6 | 4 | 8 | 1.8 | CC(C)C(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C(C)C | 10.1016/j.bmcl.2020.127599 | ||
| 44404895 | 170232 | 0 | None | -12 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 3 | 2 | 2 | 3.9 | Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL445331 | 170232 | 0 | None | -12 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 3 | 2 | 2 | 3.9 | Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL4798829 | 212279 | 4 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | c1ccc2oc(-c3csc(C4CCN(Cc5nc6ncccc6[nH]5)CC4)n3)cc2c1 | nan | ||||
| 44582705 | 186403 | 0 | None | -123 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL490632 | 186403 | 0 | None | -123 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 3158 | 55959 | 21 | None | -389 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55959 | 21 | None | -389 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 122178699 | 120839 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581245 | 120839 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 397 | 7 | 0 | 5 | 4.6 | CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 216239 | 23576 | 114 | None | 2 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1021/jm300338m | ||
| CHEMBL1200485 | 23576 | 114 | None | 2 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1021/jm300338m | ||
| CHEMBL1336 | 23576 | 114 | None | 2 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1021/jm300338m | ||
| 73213195 | 103967 | 0 | None | -1 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104092 | 103967 | 0 | None | -1 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 11808247 | 17876 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL126667 | 17876 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819366 | 17876 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 11808247 | 17876 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL126667 | 17876 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819366 | 17876 | 0 | None | -6 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 5 | 0 | 2 | 3.7 | Fc1ccc(OCCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 44456400 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL1188501 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL2436555 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL536539 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| 44456400 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL1188501 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL2436555 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL536539 | 12710 | 0 | None | -2 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| 49865830 | 15969 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.0 | CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224032 | 15969 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 1 | 1 | 3 | 3.0 | CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 41305446 | 166688 | 1 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| CHEMBL4292719 | 166688 | 1 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | 10.1039/C8MD00204E | ||
| 46914772 | 15252 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| CHEMBL1215036 | 15252 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.1 | FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| 73213195 | 103967 | 0 | None | -1 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104092 | 103967 | 0 | None | -1 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 122178700 | 120778 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3580670 | 120778 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 8 | 0 | 5 | 5.0 | CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 71681899 | 90642 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397882 | 90642 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 0.7 | O=C1c2ccccc2C[C@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 2291 | 3123 | 52 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 2561 | 3123 | 52 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 4932 | 3123 | 52 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| CHEMBL631 | 3123 | 52 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| DB01182 | 3123 | 52 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 44364514 | 121172 | 9 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | NC1CC1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| CHEMBL358810 | 121172 | 9 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | NC1CC1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| 10103618 | 120999 | 4 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@@H]1C[C@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| CHEMBL358522 | 120999 | 4 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@@H]1C[C@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| 50878551 | 90300 | 60 | None | -1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL2391541 | 90300 | 60 | None | -1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 11492300 | 88668 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 0 | 2 | 2 | 0.5 | O=C1N[C@H]2CNC[C@@H]2c2ccccc21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337495 | 88668 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 0 | 2 | 2 | 0.5 | O=C1N[C@H]2CNC[C@@H]2c2ccccc21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365471 | 88668 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 0 | 2 | 2 | 0.5 | O=C1N[C@H]2CNC[C@@H]2c2ccccc21 | 10.1016/j.bmcl.2012.10.091 | ||
| 68691189 | 90663 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397903 | 90663 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 0 | 1 | 3 | 0.5 | N#Cc1ccc2c(c1)C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 25117677 | 198558 | 0 | None | -23 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| CHEMBL597009 | 198558 | 0 | None | -23 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 4 | 1 | 5 | 3.7 | CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| 176 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 127051844 | 140303 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819427 | 140303 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 127051844 | 140303 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3819427 | 140303 | 0 | None | -48 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 2.8 | NC(=O)c1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 136118620 | 75884 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058419 | 75884 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.6 | CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 44397846 | 67288 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL190584 | 67288 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 0 | 1 | 2 | 1.7 | Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 127034729 | 135829 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 12 | 0 | 6 | 5.1 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| CHEMBL3734894 | 135829 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 12 | 0 | 6 | 5.1 | COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)c1 | 10.1039/C4MD00418C | ||
| 127036910 | 135929 | 0 | None | 18 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 10 | 0 | 5 | 4.7 | COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735862 | 135929 | 0 | None | 18 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 10 | 0 | 5 | 4.7 | COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC | 10.1039/C4MD00418C | ||
| 136118615 | 92619 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442277 | 92619 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3c(Br)cccc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 657255 | 197396 | 29 | None | -9 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 197396 | 29 | None | -9 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 45486824 | 195691 | 0 | None | -14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL569251 | 195691 | 0 | None | -14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 4 | 3 | 4 | 3.3 | O=C1Cc2c(ccc3c2OC[C@H](CNCC2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| 135427931 | 72758 | 2 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 317 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(I)c21 | 10.1021/jm050663x | ||
| CHEMBL201132 | 72758 | 2 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 317 | 2 | 2 | 4 | 1.7 | C[C@H](N)Cn1ncc2ccc(O)c(I)c21 | 10.1021/jm050663x | ||
| 58911579 | 90651 | 0 | None | 12 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 1.5 | O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397891 | 90651 | 0 | None | 12 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 242 | 1 | 1 | 2 | 1.5 | O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 277 | 1269 | 55 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1269 | 55 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1269 | 55 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1269 | 55 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1269 | 55 | None | -5 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 118464420 | 137704 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770342 | 137704 | 0 | None | 26 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 1 | 3 | 5 | 2.8 | NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 | 10.1021/acs.jmedchem.5b01631 | ||
| 118464421 | 166728 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| CHEMBL4293638 | 166728 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 3 | 5 | 2.7 | NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 | 10.1021/acsmedchemlett.8b00300 | ||
| 118706294 | 120011 | 0 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 3 | 3 | 3 | 1.3 | COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310118 | 120011 | 0 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 3 | 3 | 3 | 1.3 | COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545470 | 120011 | 0 | None | 7 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 3 | 3 | 3 | 1.3 | COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O | 10.1016/j.bmc.2014.05.027 | ||
| 44324142 | 205218 | 0 | None | -25 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 7 | 2 | 5 | 3.0 | COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL91221 | 205218 | 0 | None | -25 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 7 | 2 | 5 | 3.0 | COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O | 10.1016/S0960-894X(96)00503-3 | ||
| 10670191 | 40641 | 0 | None | -15 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14864 | 40641 | 0 | None | -15 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 428 | 3 | 1 | 4 | 5.1 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2 | 10.1021/jm990388c | ||
| 135398745 | 2858 | 108 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| 47 | 2858 | 108 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| CHEMBL715 | 2858 | 108 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| DB00334 | 2858 | 108 | None | -5 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| 44298080 | 194286 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 4 | 1 | 5 | 4.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55969 | 194286 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 4 | 1 | 5 | 4.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3cncn3C)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 191 | 399 | 92 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -5 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 118706292 | 120010 | 0 | None | 6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 297 | 2 | 4 | 3 | 0.7 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3310117 | 120010 | 0 | None | 6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 297 | 2 | 4 | 3 | 0.7 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| CHEMBL3545469 | 120010 | 0 | None | 6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 297 | 2 | 4 | 3 | 0.7 | NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2 | 10.1016/j.bmc.2014.05.027 | ||
| 127035065 | 135964 | 0 | None | 30 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
| CHEMBL3736207 | 135964 | 0 | None | 30 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 477 | 13 | 0 | 6 | 5.2 | COc1ccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1 | 10.1039/C4MD00418C | ||
| 73453 | 29388 | 22 | None | -9 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| CHEMBL1385840 | 29388 | 22 | None | -9 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| 118729258 | 120171 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402671 | 120171 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547133 | 120171 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 2 | 0 | 1 | 4.7 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 127036186 | 136876 | 0 | None | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3753318 | 136876 | 0 | None | -1 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 71062829 | 159575 | 0 | None | 1 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 6 | 0 | 5 | 2.2 | c1ccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)nc1 | nan | ||
| CHEMBL4108986 | 159575 | 0 | None | 1 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 6 | 0 | 5 | 2.2 | c1ccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)nc1 | nan | ||
| 10659364 | 120189 | 0 | None | -50 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402685 | 120189 | 0 | None | -50 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547178 | 120189 | 0 | None | -50 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@@H]1C[C@@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
| 122187376 | 122495 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 457 | 6 | 0 | 5 | 5.9 | CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609141 | 122495 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 457 | 6 | 0 | 5 | 5.9 | CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 9978683 | 18472 | 0 | None | -380 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 3.3 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm1007825 | ||
| CHEMBL1277104 | 18472 | 0 | None | -380 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 3.3 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 | 10.1021/jm1007825 | ||
| 53325861 | 56546 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643902 | 56546 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 53325861 | 56546 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643902 | 56546 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
| 117209858 | 183961 | 1 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4848305 | 183961 | 1 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 262 | 2 | 2 | 3 | 2.1 | Clc1cccc(-c2n[nH]cc2N2CCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 46230047 | 197560 | 0 | None | 16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590089 | 197560 | 0 | None | 16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1ccc2c(c1)C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| 24839550 | 136778 | 14 | None | 1 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3752576 | 136778 | 14 | None | 1 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 45486891 | 195255 | 0 | None | -83 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL566379 | 195255 | 0 | None | -83 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 449 | 6 | 3 | 4 | 4.1 | O=C1Cc2c(ccc3c2OC[C@H](CNCCCC2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 | 10.1016/j.bmcl.2009.08.050 | ||
| 27620 | 140274 | 13 | None | -269 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 297 | 5 | 0 | 2 | 3.8 | O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3818994 | 140274 | 13 | None | -269 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 297 | 5 | 0 | 2 | 3.8 | O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 24360 | 201644 | 101 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
| CHEMBL65 | 201644 | 101 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 1 | 1 | 6 | 2.1 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | nan | ||
| 44315697 | 203784 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80731 | 203784 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 254 | 4 | 1 | 3 | 2.6 | CCSc1cc2c(cc1F)CCN2C[C@H](C)N | 10.1016/j.bmcl.2003.05.001 | ||
| 3952 | 1849 | 33 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 1849 | 33 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 1849 | 33 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 1849 | 33 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 1849 | 33 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 1849 | 33 | None | -3 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 145967771 | 164224 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4218231 | 164224 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 223 | 2 | 2 | 4 | 1.6 | C[C@H]1SC(c2ccccc2O)=N[C@@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 57396813 | 71186 | 0 | None | -891 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1949930 | 71186 | 0 | None | -891 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1963007 | 71186 | 0 | None | -891 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| 44407335 | 72732 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL201117 | 72732 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 321 | 5 | 1 | 3 | 4.7 | C[C@@H](Cn1ccc2ccc3ncccc3c21)NCC1CCCCC1 | 10.1016/j.bmcl.2005.10.029 | ||
| 57799321 | 88618 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337491 | 88618 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2364961 | 88618 | 1 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 71462777 | 82538 | 0 | None | -83 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 0 | 4 | 4.3 | CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
| CHEMBL2181171 | 82538 | 0 | None | -83 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 0 | 4 | 4.3 | CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1 | 10.1021/jm300943r | ||
| 56658156 | 65321 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
| CHEMBL1834256 | 65321 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.2 | COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1016/j.bmcl.2011.08.029 | ||
| 168281486 | 190430 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCCF)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5187013 | 190430 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 6 | 0 | 5 | 3.8 | COc1cc2c(cc1OC)-c1c(OC)c(OCCF)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 11630147 | 90668 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.1 | CCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397908 | 90668 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.1 | CCOc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 44298209 | 192983 | 0 | None | -19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL53113 | 192983 | 0 | None | -19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 395 | 3 | 1 | 5 | 4.5 | Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298225 | 193797 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 3 | 1 | 5 | 5.1 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL55292 | 193797 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 3 | 1 | 5 | 5.1 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298244 | 198382 | 0 | None | -79 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL59584 | 198382 | 0 | None | -79 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 5.2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 17989871 | 149780 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| CHEMBL395298 | 149780 | 0 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 5.6 | COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.029 | ||
| 10693974 | 35422 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14401 | 35422 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2 | 10.1021/jm990388c | ||
| 10458193 | 86400 | 0 | None | -25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL232254 | 86400 | 0 | None | -25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 6 | 0 | 5 | 4.6 | COc1ccc(N2Cc3c(c4cc(F)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 | 10.1016/j.bmcl.2006.10.034 | ||
| 44568347 | 191045 | 0 | None | -30 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL519609 | 191045 | 0 | None | -30 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 18475581 | 197908 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 2 | 2 | 4 | 4.3 | Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1 | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL59266 | 197908 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 2 | 2 | 4 | 4.3 | Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1 | 10.1016/s0960-894x(01)00343-2 | ||
| 24888180 | 79443 | 0 | None | -251 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 426 | 7 | 0 | 4 | 4.6 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL212270 | 79443 | 0 | None | -251 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 426 | 7 | 0 | 4 | 4.6 | COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 24887518 | 79859 | 0 | None | -794 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| CHEMBL213987 | 79859 | 0 | None | -794 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2006.05.034 | ||
| 44298091 | 101236 | 0 | None | -99 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 3 | 1 | 4 | 5.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL299530 | 101236 | 0 | None | -99 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 3 | 1 | 4 | 5.0 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 10476876 | 193296 | 0 | None | -158 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL54610 | 193296 | 0 | None | -158 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 5.2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 44298182 | 193317 | 0 | None | -199 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 424 | 3 | 1 | 4 | 4.9 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL54769 | 193317 | 0 | None | -199 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 424 | 3 | 1 | 4 | 4.9 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 10413595 | 161280 | 0 | None | -1995 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.5 | COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
| CHEMBL414628 | 161280 | 0 | None | -1995 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.5 | COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1 | 10.1016/s0960-894x(00)00597-7 | ||
| 6918647 | 100265 | 2 | None | -125 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 439 | 5 | 1 | 5 | 3.0 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
| CHEMBL292759 | 100265 | 2 | None | -125 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 439 | 5 | 1 | 5 | 3.0 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 | 10.1021/jm980532e | ||
| 18931344 | 204798 | 0 | None | -19 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 544 | 11 | 3 | 8 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL88571 | 204798 | 0 | None | -19 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 544 | 11 | 3 | 8 | 2.5 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 155557042 | 173975 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 1 | 3 | 1.9 | COc1ccc2c(c1)[C@@H]1CCN[C@]1(C)CO2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4556297 | 173975 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 1 | 3 | 1.9 | COc1ccc2c(c1)[C@@H]1CCN[C@]1(C)CO2 | 10.1021/acsmedchemlett.9b00225 | ||
| 15124 | 140591 | 6 | None | 1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(C)CCc1c[nH]c2cc(O)ccc12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL382750 | 140591 | 6 | None | 1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.0 | CN(C)CCc1c[nH]c2cc(O)ccc12 | 10.1016/j.bmcl.2005.06.104 | ||
| 118055308 | 177178 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.8 | Clc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4642763 | 177178 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 0 | 1 | 2 | 1.8 | Clc1ccc2c3c1CCN3CCNC2 | 10.1016/j.bmcl.2019.126929 | ||
| 2099 | 9202 | 49 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| CHEMBL1110 | 9202 | 49 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | nan | ||
| 25209050 | 180998 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 6 | 2 | 6 | 3.9 | Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL477008 | 180998 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 6 | 2 | 6 | 3.9 | Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 11820166 | 40020 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1cccc2[nH]cc(C3CC3N)c12 | 10.1021/jm980318q | ||
| CHEMBL148091 | 40020 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 202 | 2 | 2 | 2 | 2.0 | COc1cccc2[nH]cc(C3CC3N)c12 | 10.1021/jm980318q | ||
| 70695812 | 72922 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL2012686 | 72922 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | ||
| 71062560 | 152882 | 0 | None | -1 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 2.4 | O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc21 | nan | ||
| CHEMBL3979116 | 152882 | 0 | None | -1 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 2.4 | O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc21 | nan | ||
| 59511191 | 184931 | 3 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 228 | 2 | 2 | 3 | 1.5 | c1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4862745 | 184931 | 3 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 228 | 2 | 2 | 3 | 1.5 | c1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 44276349 | 99529 | 0 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 3 | 4 | 8 | -0.2 | CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL286739 | 99529 | 0 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 3 | 4 | 8 | -0.2 | CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12 | 10.1021/acs.jmedchem.6b01183 | ||
| 11427139 | 84249 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL222566 | 84249 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 1 | 1 | 2 | 2.4 | C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 2274 | 3112 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3112 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3112 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3112 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3112 | 53 | None | -10 | 32 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 132060812 | 161475 | 0 | None | -16 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4160064 | 161475 | 0 | None | -16 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| 44215629 | 155789 | 1 | None | -12 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 1.9 | N#Cc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL406585 | 155789 | 1 | None | -12 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 0 | 1 | 2 | 1.9 | N#Cc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 118729236 | 120153 | 0 | None | -9 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402658 | 120153 | 0 | None | -9 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547011 | 120153 | 0 | None | -9 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL4513786 | 212207 | 5 | None | -1174 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC | nan | ||||
| CHEMBL4796803 | 212207 | 5 | None | -1174 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC | nan | ||||
| 46914776 | 15229 | 0 | None | 7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| CHEMBL1214892 | 15229 | 0 | None | 7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 7 | 0 | 4 | 4.5 | CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| 71062708 | 153760 | 0 | None | -3 | 12 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL3986651 | 153760 | 0 | None | -3 | 12 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 49865886 | 15989 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 262 | 2 | 1 | 3 | 2.1 | CCCNC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| CHEMBL1224102 | 15989 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 262 | 2 | 1 | 3 | 2.1 | CCCNC(=O)N1OCC2COc3ccccc3C21 | 10.1016/j.bmcl.2010.07.074 | ||
| 11198145 | 9707 | 2 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL113830 | 9707 | 2 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 49783209 | 17412 | 0 | None | -114 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 17412 | 0 | None | -114 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 10539928 | 120182 | 0 | None | -8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402668 | 120182 | 0 | None | -8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547154 | 120182 | 0 | None | -8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 136118619 | 75883 | 0 | None | 2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058418 | 75883 | 0 | None | 2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 25060119 | 103824 | 0 | None | -9332 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
| CHEMBL3099899 | 103824 | 0 | None | -9332 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 493 | 7 | 1 | 5 | 6.1 | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC | 10.1016/j.bmcl.2013.10.045 | ||
| 122187377 | 122496 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 0 | 5 | 6.7 | CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609142 | 122496 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 8 | 0 | 5 | 6.7 | CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL5071978 | 212491 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CCN(CC)Cc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 44397752 | 124736 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL364534 | 124736 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 2.0 | Cc1ccc2c(c1C)N1[C@H](CNC[C@H]1C)C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 46230097 | 197675 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590816 | 197675 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.6 | O=C1NC2CCNCCN2c2ccccc21 | 10.1016/j.bmcl.2009.12.014 | ||
| 130442480 | 174688 | 0 | None | -83 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4572614 | 174688 | 0 | None | -83 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| 134150123 | 151546 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 381 | 4 | 2 | 9 | 0.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3967613 | 151546 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 381 | 4 | 2 | 9 | 0.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 3033538 | 1287 | 36 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 7155 | 1287 | 36 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 781 | 1287 | 36 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| CHEMBL1201216 | 1287 | 36 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| DB00298 | 1287 | 36 | None | -12 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 16118795 | 59765 | 0 | None | -954 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1642851 | 59765 | 0 | None | -954 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1739215 | 59765 | 0 | None | -954 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| 16117153 | 59808 | 0 | None | -1122 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1642889 | 59808 | 0 | None | -1122 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| CHEMBL1739616 | 59808 | 0 | None | -1122 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 4 | 3 | 5 | 3.7 | O=S(=O)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12 | 10.1016/j.bmc.2010.10.033 | ||
| 70695812 | 72922 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL2012686 | 72922 | 0 | None | -831 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.6b01183 | ||
| 44352308 | 116971 | 0 | None | -83 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 5 | 2 | 2 | 4.0 | Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C | 10.1021/jm0155190 | ||
| CHEMBL339980 | 116971 | 0 | None | -83 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 5 | 2 | 2 | 4.0 | Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C | 10.1021/jm0155190 | ||
| 122442272 | 137807 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 213 | 3780 | 50 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 3780 | 50 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 3780 | 50 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 3780 | 50 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 3780 | 50 | None | -5 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 44409097 | 76238 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 257 | 0 | 1 | 3 | 1.8 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL206333 | 76238 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 257 | 0 | 1 | 3 | 1.8 | C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 44626329 | 195722 | 0 | None | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| CHEMBL569513 | 195722 | 0 | None | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | 10.1016/j.bmcl.2009.08.050 | ||
| 11148641 | 90645 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397885 | 90645 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 216 | 0 | 1 | 2 | 1.0 | C[C@H]1CN2C(=O)c3ccccc3C[C@@H]2CN1 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL5091373 | 213781 | 0 | None | -33 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| CHEMBL5095981 | 213781 | 0 | None | -33 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CNCCc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 2351 | 3222 | 60 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
| 2820 | 3222 | 60 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
| 5035 | 3222 | 60 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
| CHEMBL81 | 3222 | 60 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
| DB00481 | 3222 | 60 | None | -7 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1021/jm100600y | ||
| 122442272 | 137807 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -2 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 9909648 | 203851 | 1 | None | -22 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 4 | 0 | 3 | 3.7 | Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1 | 10.1021/jm100600y | ||
| CHEMBL81330 | 203851 | 1 | None | -22 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 4 | 0 | 3 | 3.7 | Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1 | 10.1021/jm100600y | ||
| 145977799 | 163080 | 0 | None | 1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4204036 | 163080 | 0 | None | 1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 3 | 1 | 3 | 2.9 | C[C@@H]1SC(c2ccccc2)=N[C@@H]1Cc1c[nH]cn1 | 10.1021/acs.jnatprod.7b00317 | ||
| 12488 | 1619 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 1619 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 1619 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 1619 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 53324553 | 56545 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643900 | 56545 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| 53324553 | 56545 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643900 | 56545 | 0 | None | -9 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| 16115271 | 78683 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| CHEMBL2113264 | 78683 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 298 | 1 | 1 | 2 | 2.8 | CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12 | 10.1021/jm0612968 | ||
| 71720492 | 86526 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 8 | 2 | 5 | 3.0 | C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1021/ml3003814 | ||
| CHEMBL2323578 | 86526 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 8 | 2 | 5 | 3.0 | C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1021/ml3003814 | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 9803032 | 190847 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 7 | 0 | 4 | 4.4 | COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL5193178 | 190847 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 7 | 0 | 4 | 4.4 | COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 3649661 | 137678 | 6 | None | 23 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| CHEMBL3770106 | 137678 | 6 | None | 23 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 3 | 7 | 2.2 | CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 | 10.1021/acs.jmedchem.5b01631 | ||
| 2247 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 11708275 | 72352 | 3 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
| CHEMBL199775 | 72352 | 3 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 3 | 1 | 4 | 1.4 | COc1ccc2cnn(C[C@H](C)N)c2c1 | 10.1021/jm050663x | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1016/j.bmcl.2013.12.024 | ||
| 11949710 | 198210 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL594717 | 198210 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 1 | 4 | 3.5 | Cc1ccc(F)cc1CO[C@H]1CCc2ccc(N3CCNC[C@H]3C)nc21 | 10.1016/j.bmcl.2009.10.112 | ||
| 36906 | 104388 | 68 | None | -4 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
| CHEMBL31115 | 104388 | 68 | None | -4 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm050663x | ||
| 36906 | 104388 | 68 | None | -4 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm030205t | ||
| CHEMBL31115 | 104388 | 68 | None | -4 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.1 | COc1ccc2[nH]cc(CC(C)N)c2c1 | 10.1021/jm030205t | ||
| 44573547 | 187039 | 0 | None | -11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.6 | C[C@H](Cc1cccc(F)c1)Oc1nc(N2CCNC[C@H]2C)ncc1F | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL494948 | 187039 | 0 | None | -11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.6 | C[C@H](Cc1cccc(F)c1)Oc1nc(N2CCNC[C@H]2C)ncc1F | 10.1021/acs.jmedchem.2c00633 | ||
| 9931534 | 33872 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL14255 | 33872 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.4 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 10623205 | 98597 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 445 | 3 | 1 | 3 | 5.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL280465 | 98597 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 445 | 3 | 1 | 3 | 5.8 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 10837468 | 162146 | 0 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 3 | 1 | 4 | 5.3 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2 | 10.1021/jm990388c | ||
| CHEMBL417082 | 162146 | 0 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 3 | 1 | 4 | 5.3 | COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2 | 10.1021/jm990388c | ||
| 10622480 | 166472 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| CHEMBL428879 | 166472 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 6.1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 | 10.1021/jm990388c | ||
| 44298176 | 100148 | 0 | None | -6 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL291949 | 100148 | 0 | None | -6 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 4.6 | Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3ccncc3)nc1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 18357730 | 194225 | 0 | None | -19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL55914 | 194225 | 0 | None | -19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 442 | 4 | 1 | 4 | 5.3 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 44453103 | 97598 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 4 | 1 | 4 | 2.9 | CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL273173 | 97598 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 4 | 1 | 4 | 2.9 | CCN(CC)c1nc2c(c(-c3ccc(C)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| 240 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 2769 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 44279790 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 660 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL1729 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL560739 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| DB00604 | 929 | 39 | None | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 11737939 | 83798 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL220900 | 83798 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 2.1 | O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| 118729268 | 120176 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402677 | 120176 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547138 | 120176 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 0 | 1 | 3.8 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 118729254 | 120183 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402669 | 120183 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547155 | 120183 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 296 | 3 | 0 | 3 | 3.6 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 16062136 | 157114 | 4 | None | -13 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 3 | 3.2 | CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL408155 | 157114 | 4 | None | -13 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 3 | 3.2 | CC(C)(C)c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2 | 10.1016/j.bmcl.2008.01.090 | ||
| 146159245 | 187856 | 27 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| 451415 | 187856 | 27 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| 86289437 | 187856 | 27 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| CHEMBL502620 | 187856 | 27 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | nan | ||
| 12613159 | 186733 | 7 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL493054 | 186733 | 7 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 10517285 | 120187 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402683 | 120187 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547176 | 120187 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Cl)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 1224 | 1399 | 79 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1399 | 79 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1399 | 79 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1399 | 79 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1399 | 79 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1399 | 79 | None | -6 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 122187381 | 122499 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 2 | 1 | 5 | 4.5 | COc1cc2c3c(c1O)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3609146 | 122499 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 401 | 2 | 1 | 5 | 4.5 | COc1cc2c3c(c1O)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 135465870 | 188394 | 7 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL508657 | 188394 | 7 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 254 | 1 | 2 | 2 | 1.6 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 155565326 | 175002 | 0 | None | -467 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 6 | 5 | 9 | 0.5 | O=C(NCCO)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4579650 | 175002 | 0 | None | -467 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 6 | 5 | 9 | 0.5 | O=C(NCCO)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 46914620 | 15244 | 0 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| CHEMBL1214962 | 15244 | 0 | None | 6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 350 | 6 | 0 | 4 | 4.1 | CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| 46230094 | 197621 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2ccc(Cl)cc21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590482 | 197621 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 237 | 0 | 2 | 3 | 0.8 | O=C1NC2CNCCN2c2ccc(Cl)cc21 | 10.1016/j.bmcl.2009.12.014 | ||
| 57403525 | 69796 | 0 | None | -478 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 361 | 6 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL1940402 | 69796 | 0 | None | -478 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 361 | 6 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| 127051845 | 140185 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3817898 | 140185 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 4178 | 194120 | 58 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
| CHEMBL558 | 194120 | 58 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | nan | ||
| 127051845 | 140185 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| CHEMBL3817898 | 140185 | 0 | None | -42 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 3.7 | COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1 | 10.1016/j.bmc.2016.05.053 | ||
| 145986752 | 166712 | 0 | None | -1 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 7.3 | COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4293307 | 166712 | 0 | None | -1 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 7.3 | COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2018.10.036 | ||
| 11695000 | 88628 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337490 | 88628 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365083 | 88628 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 2 | 2 | 1.5 | O=C1N[C@H]2CNC[C@@H]2c2cccc(C(F)(F)F)c21 | 10.1016/j.bmcl.2012.10.091 | ||
| 118729276 | 120164 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402682 | 120164 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547045 | 120164 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 3 | 0 | 1 | 5.4 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 134152157 | 152593 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3976579 | 152593 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 6 | 4 | 8 | 1.4 | CC[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 | 10.1021/acs.jmedchem.6b01183 | ||
| 21830793 | 91389 | 5 | None | -489 | 46 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| CHEMBL2413154 | 91389 | 5 | None | -489 | 46 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| 16115392 | 84359 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL223292 | 84359 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.7 | Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 11665991 | 197654 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590721 | 197654 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 0 | 2 | 3 | 1.2 | O=C1NC2CNCCCN2c2cccc(Cl)c21 | 10.1016/j.bmcl.2009.12.014 | ||
| 222757 | 98904 | 70 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
| CHEMBL282575 | 98904 | 70 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | ||
| 2812 | 4696 | 96 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4696 | 96 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 44407440 | 138763 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL379223 | 138763 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 329 | 5 | 1 | 3 | 4.7 | Cc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 24740863 | 88714 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | 10.1016/j.bmcl.2009.09.024 | ||
| CHEMBL236610 | 88714 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | 10.1016/j.bmcl.2009.09.024 | ||
| 46214153 | 110193 | 0 | None | -6 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 4.0 | Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 | 10.1021/ml500082j | ||
| CHEMBL3260334 | 110193 | 0 | None | -6 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 4.0 | Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 | 10.1021/ml500082j | ||
| 11221167 | 84243 | 0 | None | -10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL222514 | 84243 | 0 | None | -10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 256 | 0 | 1 | 2 | 1.8 | O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12 | 10.1021/jm0612968 | ||
| CHEMBL4520788 | 212215 | 6 | None | -3 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 155535754 | 171499 | 0 | None | 13 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 1 | 1 | 4 | 1.2 | Cc1cccc(C)c1N1C(=O)CNC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| CHEMBL4472251 | 171499 | 0 | None | 13 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 1 | 1 | 4 | 1.2 | Cc1cccc(C)c1N1C(=O)CNC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| 44404906 | 69912 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 218 | 3 | 2 | 2 | 2.4 | CC(Cc1c[nH]c2cccc(O)c12)N(C)C | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL194202 | 69912 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 218 | 3 | 2 | 2 | 2.4 | CC(Cc1c[nH]c2cccc(O)c12)N(C)C | 10.1016/j.bmcl.2005.06.104 | ||
| 24873261 | 182602 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 241 | 2 | 1 | 3 | 2.3 | CCn1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| CHEMBL4795756 | 182602 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 241 | 2 | 1 | 3 | 2.3 | CCn1nc2c(c1-c1ccccc1)CCNCC2 | 10.1016/j.bmcl.2020.127669 | ||
| 16115644 | 136424 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL374436 | 136424 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 1.4 | CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 145964150 | 163743 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 3.1 | CCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4212246 | 163743 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 3.1 | CCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1 | 10.1021/acs.jnatprod.7b00317 | ||
| 118567543 | 170792 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 4 | 0 | 4 | 4.2 | O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2 | 10.1021/acs.jmedchem.9b01256 | ||
| CHEMBL4461774 | 170792 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 4 | 0 | 4 | 4.2 | O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2 | 10.1021/acs.jmedchem.9b01256 | ||
| 88912137 | 110196 | 0 | None | -245 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 405 | 5 | 1 | 3 | 5.2 | C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1 | 10.1021/ml500082j | ||
| CHEMBL3260337 | 110196 | 0 | None | -245 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 405 | 5 | 1 | 3 | 5.2 | C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1 | 10.1021/ml500082j | ||
| 122188580 | 122656 | 0 | None | -19 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 485 | 5 | 4 | 8 | 2.4 | CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.9b00637 | ||
| CHEMBL3612941 | 122656 | 0 | None | -19 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 485 | 5 | 4 | 8 | 2.4 | CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.9b00637 | ||
| 71062889 | 147730 | 0 | None | -41 | 5 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
| CHEMBL3936595 | 147730 | 0 | None | -41 | 5 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
| 44409096 | 76407 | 0 | None | -28 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 203 | 0 | 1 | 3 | 1.1 | Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL206845 | 76407 | 0 | None | -28 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 203 | 0 | 1 | 3 | 1.1 | Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 134138769 | 147126 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| CHEMBL3931747 | 147126 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 6 | 4 | 8 | 1.7 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.6b01183 | ||
| 132559161 | 172443 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 7 | 2 | 7 | 1.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](Cc2ccoc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O | 10.1039/C9MD00050J | ||
| CHEMBL4518571 | 172443 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 7 | 2 | 7 | 1.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccoc2)N(C)C(=O)[C@H](Cc2ccoc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O | 10.1039/C9MD00050J | ||
| 90181066 | 159604 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.1 | Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
| CHEMBL4109218 | 159604 | 0 | None | 9 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.1 | Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1 | nan | ||
| 136118652 | 92607 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442266 | 92607 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3cccc(Br)c23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 11673842 | 88645 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 2 | 2 | 2 | 2.1 | CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337498 | 88645 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 2 | 2 | 2 | 2.1 | CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365254 | 88645 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 2 | 2 | 2 | 2.1 | CCCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 11361103 | 90660 | 1 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397900 | 90660 | 1 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 1.7 | O=C1c2ccc(C(F)(F)F)cc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 18715554 | 74060 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL202656 | 74060 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 225 | 2 | 1 | 3 | 2.5 | C[C@H](N)Cn1ccc2ccc3cnccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 24826871 | 90667 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397907 | 90667 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 232 | 1 | 1 | 3 | 0.7 | COc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 25122653 | 198833 | 0 | None | -17 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 3 | 2 | 5 | 4.1 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1 | 10.1021/jm901674f | ||
| CHEMBL598850 | 198833 | 0 | None | -17 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 3 | 2 | 5 | 4.1 | NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1 | 10.1021/jm901674f | ||
| 136118638 | 75948 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058698 | 75948 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 136118730 | 75876 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058407 | 75876 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2cccc(Br)c12 | 10.1016/j.bmc.2013.09.011 | ||
| 71062567 | 159856 | 0 | None | 2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL4111349 | 159856 | 0 | None | 2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 5 | 2.5 | Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 54764239 | 68509 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| CHEMBL1922537 | 68509 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 272 | 2 | 1 | 3 | 2.7 | CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 | 10.1016/j.bmcl.2011.09.086 | ||
| 11630623 | 88656 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337499 | 88656 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365399 | 88656 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 56649649 | 67500 | 0 | None | -93 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910140 | 67500 | 0 | None | -93 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 86221574 | 166123 | 2 | None | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 5 | 2 | 2 | 3.4 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccccc2)CC1 | 10.1039/C8MD00204E | ||
| CHEMBL4282117 | 166123 | 2 | None | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 5 | 2 | 2 | 3.4 | O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccccc2)CC1 | 10.1039/C8MD00204E | ||
| 162674022 | 182629 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| CHEMBL4796102 | 182629 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 4 | 1 | 4 | 3.5 | N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1 | 10.1016/j.bmcl.2020.127511 | ||
| 44299663 | 162564 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 3 | 2 | 3 | 3.9 | CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
| CHEMBL417753 | 162564 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 3 | 2 | 3 | 3.9 | CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 | 10.1016/s0960-894x(01)00343-2 | ||
| 10127939 | 71883 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL198171 | 71883 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.3 | COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 49850772 | 56090 | 0 | None | -501 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 397 | 5 | 0 | 5 | 4.1 | Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1631545 | 56090 | 0 | None | -501 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 397 | 5 | 0 | 5 | 4.1 | Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 44298208 | 193009 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL53308 | 193009 | 0 | None | -39 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 3 | 1 | 5 | 4.9 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2 | 10.1016/s0960-894x(00)00364-4 | ||
| 18931357 | 204852 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| CHEMBL88894 | 204852 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 578 | 11 | 3 | 8 | 3.2 | COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/S0960-894X(96)00503-3 | ||
| 153287568 | 170408 | 0 | None | 15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 217 | 0 | 1 | 2 | 2.5 | Cc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4456195 | 170408 | 0 | None | 15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 217 | 0 | 1 | 2 | 2.5 | Cc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
| 12017598 | 167543 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| CHEMBL432879 | 167543 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.4 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2 | 10.1016/s0960-894x(00)00365-6 | ||
| 21533446 | 69797 | 0 | None | -213 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.9 | OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL1940403 | 69797 | 0 | None | -213 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.9 | OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| 117209964 | 185542 | 1 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4871980 | 185542 | 1 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 2 | 2 | 3 | 1.6 | Fc1ccc(-c2n[nH]cc2N2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 10194524 | 72192 | 0 | None | -63 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 3.0 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| CHEMBL199177 | 72192 | 0 | None | -63 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 3.0 | COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCOCC1 | 10.1016/j.bmcl.2005.08.004 | ||
| 49850567 | 56160 | 0 | None | -3981 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 452 | 6 | 1 | 6 | 4.0 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1632217 | 56160 | 0 | None | -3981 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 452 | 6 | 1 | 6 | 4.0 | Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 44298142 | 101262 | 0 | None | -199 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| CHEMBL299726 | 101262 | 0 | None | -199 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 3 | 1 | 4 | 4.8 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1 | 10.1016/s0960-894x(00)00364-4 | ||
| 153287574 | 174665 | 0 | None | -10 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4572167 | 174665 | 0 | None | -10 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 10368126 | 86278 | 0 | None | -25 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 7 | 0 | 6 | 4.2 | COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O | 10.1016/j.bmcl.2006.10.034 | ||
| CHEMBL231833 | 86278 | 0 | None | -25 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 7 | 0 | 6 | 4.2 | COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCCN3CCCCC3)c2)C1=O | 10.1016/j.bmcl.2006.10.034 | ||
| 25164129 | 160601 | 0 | None | -1479 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL4088036 | 160601 | 0 | None | -1479 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL4117406 | 160601 | 0 | None | -1479 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| 25056080 | 65344 | 0 | None | -407 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 342 | 3 | 1 | 3 | 2.3 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 | 10.1021/jm200466r | ||
| CHEMBL1834345 | 65344 | 0 | None | -407 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 342 | 3 | 1 | 3 | 2.3 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 | 10.1021/jm200466r | ||
| 24826788 | 90653 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397893 | 90653 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 236 | 0 | 1 | 2 | 1.3 | O=C1c2c(Cl)cccc2C[C@@H]2CNCCN12 | 10.1016/j.bmcl.2013.04.061 | ||
| 71657836 | 120172 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402673 | 120172 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547134 | 120172 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 2 | 0 | 1 | 4.5 | CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 135453290 | 133070 | 23 | None | -2 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL371300 | 133070 | 23 | None | -2 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 134551 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 271 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 885 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| CHEMBL1403281 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 30241 | 41784 | 14 | None | -8 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.2 | COc1ccc2[nH]cc(C(C)CN)c2c1 | 10.1021/jm980318q | ||
| CHEMBL149564 | 41784 | 14 | None | -8 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 204 | 3 | 2 | 2 | 2.2 | COc1ccc2[nH]cc(C(C)CN)c2c1 | 10.1021/jm980318q | ||
| 11492162 | 71694 | 2 | None | 10 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL197646 | 71694 | 2 | None | 10 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 1 | 2.4 | CN(C)CCc1c[nH]c2cccc(F)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 11615459 | 197558 | 0 | None | 10 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| CHEMBL590078 | 197558 | 0 | None | 10 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 217 | 0 | 2 | 3 | 0.5 | Cc1cccc2c1C(=O)NC1CNCCN21 | 10.1016/j.bmcl.2009.12.014 | ||
| 135414348 | 72449 | 2 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
| CHEMBL200104 | 72449 | 2 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 205 | 2 | 2 | 4 | 1.4 | Cc1c(O)ccc2cnn(C[C@H](C)N)c12 | 10.1021/jm050663x | ||
| CHEMBL5082177 | 213010 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CCCN(CCC)Cc1ccc(Cl)c(-c2ccccc2OC)c1 | 10.1021/acs.jmedchem.1c00110 | ||||
| 2726 | 904 | 64 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 904 | 64 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 904 | 64 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 904 | 64 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 904 | 64 | None | -19 | 73 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 122178698 | 120838 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL3581244 | 120838 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 5 | 0 | 5 | 3.9 | CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 10827035 | 120180 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402666 | 120180 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547152 | 120180 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 285 | 2 | 0 | 1 | 4.3 | CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 | 10.1016/j.bmc.2015.01.060 | ||
| 118729281 | 120159 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3402686 | 120159 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL3547018 | 120159 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 0 | 1 | 4.0 | Cc1ccccc1[C@H]1C[C@H](N(C)C)Cc2ccccc21 | 10.1016/j.bmc.2015.01.060 | ||
| 44409316 | 74656 | 0 | None | -102 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL203393 | 74656 | 0 | None | -102 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 0 | 1 | 3 | 1.6 | C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 | 10.1016/j.bmcl.2005.11.083 | ||
| 145965940 | 163635 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 273 | 2 | 2 | 4 | 2.8 | C[C@@H]1SC(c2cc3ccccc3cc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| CHEMBL4210787 | 163635 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 273 | 2 | 2 | 4 | 2.8 | C[C@@H]1SC(c2cc3ccccc3cc2O)=N[C@H]1CO | 10.1021/acs.jnatprod.7b00317 | ||
| 100 | 3733 | 52 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3733 | 52 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3733 | 52 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3733 | 52 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3733 | 52 | None | -11 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 168277348 | 189695 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5175973 | 189695 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 8 | 0 | 5 | 5.4 | CCCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 155558726 | 174226 | 0 | None | -19 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4562303 | 174226 | 0 | None | -19 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 835 | 11 | 0 | 13 | 6.7 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CC[C@H]3O[C@H](Cn4cc(nn4)COC[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1OC(C)(C)O[C@@H]1[C@H]3OCCC(C)C | 10.1016/j.ejmech.2019.04.064 | ||
| 3042 | 1381 | 31 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1381 | 31 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1381 | 31 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1381 | 31 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1381 | 31 | None | -39 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 122483275 | 137569 | 0 | None | -3 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.1 | O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3764133 | 137569 | 0 | None | -3 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.1 | O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3765875 | 137569 | 0 | None | -3 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.1 | O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21 | 10.1016/j.ejmech.2016.01.043 | ||
| 11949706 | 198362 | 0 | None | -11 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 359 | 4 | 1 | 4 | 3.4 | C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2 | 10.1016/j.bmcl.2009.10.112 | ||
| CHEMBL595645 | 198362 | 0 | None | -11 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 359 | 4 | 1 | 4 | 3.4 | C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2 | 10.1016/j.bmcl.2009.10.112 | ||
| 3037629 | 183979 | 13 | None | 1 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| CHEMBL4848517 | 183979 | 13 | None | 1 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 3.6 | C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.1c00726 | ||
| 130442572 | 171332 | 0 | None | -17 | 24 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4469848 | 171332 | 0 | None | -17 | 24 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 5591 | 156977 | 84 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
| CHEMBL408 | 156977 | 84 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | nan | ||
| 21044398 | 140540 | 0 | None | -21 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 233 | 1 | 2 | 4 | 0.9 | C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| CHEMBL382618 | 140540 | 0 | None | -21 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 233 | 1 | 2 | 4 | 0.9 | C[C@H](O)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.11.083 | ||
| 46945446 | 17565 | 0 | None | -5 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 9 | 0 | 5 | 4.6 | CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1 | 10.1016/j.bmcl.2010.07.135 | ||
| CHEMBL1258723 | 17565 | 0 | None | -5 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 408 | 9 | 0 | 5 | 4.6 | CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1 | 10.1016/j.bmcl.2010.07.135 | ||
| 136118657 | 92610 | 0 | None | 12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442269 | 92610 | 0 | None | 12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1/N/C(=C/c2c[nH]c3c(Br)cccc23)C(=O)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 44451393 | 156119 | 1 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 1 | 1 | 2 | 2.0 | COc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL406957 | 156119 | 1 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 211 | 1 | 1 | 2 | 2.0 | COc1ccc2c(c1Cl)CCNCC2 | 10.1016/j.bmc.2007.12.009 | ||
| 11437171 | 83063 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| CHEMBL220207 | 83063 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 234 | 1 | 1 | 3 | 1.5 | CSc1cccc2c1C(=O)N1CCNCC21 | 10.1021/jm0612968 | ||
| 155558968 | 174236 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| CHEMBL4562437 | 174236 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| 44572802 | 12323 | 2 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL1186019 | 12323 | 2 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| CHEMBL445747 | 12323 | 2 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 2 | 1 | 1 | 2.1 | Cc1cccc([C@H]2C[C@@H]2CN)c1 | 10.1021/jm801354e | ||
| 136016509 136118731 | 10844 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL1173331 | 10844 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmc.2013.09.011 | ||
| 3168 | 9157 | 84 | None | -107 | 22 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1108 | 9157 | 84 | None | -107 | 22 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 71450550 | 83379 | 0 | None | -1 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205836 | 83379 | 0 | None | -1 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 4543 | 169972 | 36 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169972 | 36 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169972 | 36 | None | -4 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 11300712 | 141142 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| CHEMBL385577 | 141142 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21 | 10.1021/jm0612968 | ||
| 59757162 | 105810 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3092761 | 105810 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL3139074 | 105810 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 1 | 3 | 2 | 1.2 | NC(N)=NC(=O)c1ccc2c(c1)-c1ccccc1C2O | 10.1016/j.bmc.2013.10.010 | ||
| 1548953 | 205935 | 24 | None | -4 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205935 | 24 | None | -4 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 5870 | 31430 | 85 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
| CHEMBL1405 | 31430 | 85 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | nan | ||
| 6452095 | 40447 | 17 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.2 | CC(CN)c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| CHEMBL148463 | 40447 | 17 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 2 | 1 | 2.2 | CC(CN)c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| 11493484 | 88627 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337106 | 88627 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2365079 | 88627 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 1 | 2 | 2 | 2.1 | CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21 | 10.1016/j.bmcl.2012.10.091 | ||
| 21509921 | 103966 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103966 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 44554395 | 18521 | 0 | None | -54 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.0 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
| CHEMBL1277565 | 18521 | 0 | None | -54 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.0 | Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
| 21509921 | 103966 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103966 | 0 | None | -8 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 155565189 | 174982 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| CHEMBL4579120 | 174982 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 634 | 7 | 0 | 9 | 6.2 | CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12 | 10.1016/j.ejmech.2019.04.064 | ||
| 18735309 | 203712 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL80246 | 203712 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 2 | 1 | 2 | 2.6 | C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 | 10.1016/j.bmcl.2003.05.001 | ||
| 53381002 | 65119 | 0 | None | 15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 240 | 2 | 2 | 4 | 2.2 | COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 | 10.1016/j.bmc.2011.08.033 | ||
| CHEMBL1829959 | 65119 | 0 | None | 15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 240 | 2 | 2 | 4 | 2.2 | COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 | 10.1016/j.bmc.2011.08.033 | ||
| 56649650 | 67501 | 0 | None | -100 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910141 | 67501 | 0 | None | -100 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 71062530 | 159533 | 0 | None | -3 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
| CHEMBL4108620 | 159533 | 0 | None | -3 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | O=C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc21 | nan | ||
| 44407327 | 140703 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| CHEMBL383042 | 140703 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 6 | 1 | 4 | 4.4 | COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 | 10.1016/j.bmcl.2005.10.029 | ||
| 136118617 | 75881 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058416 | 75881 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 44315993 | 172298 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| CHEMBL451543 | 172298 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.1 | CSc1ccc2c(c1)N(C[C@H](C)N)CC2 | 10.1016/j.bmcl.2003.05.001 | ||
| 44572810 | 12531 | 2 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
| CHEMBL1187196 | 12531 | 2 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
| CHEMBL493130 | 12531 | 2 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 165 | 2 | 1 | 1 | 1.9 | NC[C@H]1C[C@@H]1c1ccc(F)cc1 | 10.1021/jm801354e | ||
| 11346775 | 83054 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| CHEMBL220157 | 83054 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 252 | 1 | 1 | 3 | 1.4 | COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O | 10.1021/jm0612968 | ||
| 132060776 | 161840 | 0 | None | -3 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4165863 | 161840 | 0 | None | -3 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| 136118658 | 75886 | 0 | None | 2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058426 | 75886 | 0 | None | 2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 13091356 | 113026 | 0 | None | -218 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 1 | 3 | 4.8 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL3321789 | 113026 | 0 | None | -218 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 1 | 3 | 4.8 | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1 | 10.1016/j.bmcl.2014.07.018 | ||
| 118717223 | 120058 | 0 | None | -7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 1 | 2 | 2 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3343671 | 120058 | 0 | None | -7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 1 | 2 | 2 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| CHEMBL3545813 | 120058 | 0 | None | -7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 1 | 2 | 2 | 2.2 | NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2 | 10.1016/j.bmc.2014.09.005 | ||
| 46914485 | 15243 | 0 | None | 83 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| CHEMBL1214961 | 15243 | 0 | None | 83 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 5 | 0 | 4 | 3.8 | COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 | 10.1021/jm100639f | ||
| 44397731 | 66867 | 0 | None | -23 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 1.3 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL187888 | 66867 | 0 | None | -23 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 213 | 0 | 1 | 3 | 1.3 | C[C@@H]1CNC[C@H]2Cc3ccc(C#N)cc3N12 | 10.1016/j.bmcl.2005.05.074 | ||
| 6319 | 23257 | 90 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
| CHEMBL1333512 | 23257 | 90 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 260 | 4 | 2 | 2 | 5.2 | c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 | nan | ||
| 44451369 | 95874 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2c3c(ccc2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
| CHEMBL261489 | 95874 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 0 | 1 | 2 | 2.1 | c1cc2c3c(ccc2o1)CCNCC3 | 10.1016/j.bmc.2007.12.009 | ||
| 135753056 | 190571 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| CHEMBL5188949 | 190571 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 4 | 2 | 5 | 2.4 | CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1 | 10.1021/acs.jmedchem.1c01759 | ||
| 16062145 | 97196 | 0 | None | -223 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 2.8 | Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| CHEMBL271111 | 97196 | 0 | None | -223 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 269 | 2 | 1 | 3 | 2.8 | Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1 | 10.1016/j.bmcl.2008.01.090 | ||
| 11716185 | 88621 | 0 | None | -20 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2337497 | 88621 | 0 | None | -20 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| CHEMBL2364998 | 88621 | 0 | None | -20 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 1.7 | CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1NC2=O | 10.1016/j.bmcl.2012.10.091 | ||
| 10028436 | 3463 | 3 | None | -45 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
| 3237 | 3463 | 3 | None | -45 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
| CHEMBL95104 | 3463 | 3 | None | -45 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
| 25209705 | 180468 | 23 | None | -144 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL475965 | 180468 | 23 | None | -144 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 168294400 | 191872 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC)-c1c(OC)c(OC3CCCCC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5208882 | 191872 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 423 | 5 | 0 | 5 | 5.2 | COc1cc2c(cc1OC)-c1c(OC)c(OC3CCCCC3)cc3c1[C@H](C2)N(C)CC3 | 10.1021/acs.jnatprod.2c00365 | ||
| 118055296 | 177367 | 0 | None | -58 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 264 | 2 | 1 | 2 | 2.7 | c1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1 | 10.1016/j.bmcl.2019.126929 | ||
| CHEMBL4645736 | 177367 | 0 | None | -58 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 264 | 2 | 1 | 2 | 2.7 | c1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1 | 10.1016/j.bmcl.2019.126929 | ||
| 122483281 | 137567 | 0 | None | -18 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 5.4 | COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3763779 | 137567 | 0 | None | -18 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 5.4 | COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
| CHEMBL3765873 | 137567 | 0 | None | -18 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 5.4 | COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.ejmech.2016.01.043 | ||
| 136118649 | 75954 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058704 | 75954 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.0 | C/N=C1\NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 11819486 | 120623 | 0 | None | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@H]1C[C@@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| CHEMBL357702 | 120623 | 0 | None | -4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 172 | 1 | 2 | 1 | 2.0 | N[C@H]1C[C@@H]1c1c[nH]c2ccccc12 | 10.1021/jm980318q | ||
| 58911668 | 90665 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| CHEMBL2397905 | 90665 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 1.2 | CCc1cccc2c1C[C@@H]1CNCCN1C2=O | 10.1016/j.bmcl.2013.04.061 | ||
| 162652711 | 179789 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 409 | 6 | 3 | 7 | 2.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CF)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
| CHEMBL4751718 | 179789 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 409 | 6 | 3 | 7 | 2.6 | CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CF)C[C@H]12)C1CC1 | 10.1016/j.bmcl.2020.127599 | ||
| 71452341 | 83269 | 4 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
| CHEMBL2205361 | 83269 | 4 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
| 11848625 | 5700 | 0 | None | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | 10.1016/j.bmcl.2009.09.024 | ||
| CHEMBL1078745 | 5700 | 0 | None | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | 10.1016/j.bmcl.2009.09.024 | ||
| 136118614 | 92618 | 0 | None | 3 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2442276 | 92618 | 0 | None | 3 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 1 | 3 | 2 | 2.3 | CN1C(=N)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O | 10.1016/j.bmc.2013.09.011 | ||
| 10106214 | 2064 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| 1207 | 2064 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| 1209 | 2064 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| CHEMBL127307 | 2064 | 1 | None | -46 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 2 | 0 | 1 | 3.7 | CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C | 10.1016/j.bmc.2015.01.060 | ||
| 6604117 | 187254 | 6 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL2062340 | 187254 | 6 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL49623 | 187254 | 6 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 49864027 | 15228 | 0 | None | 25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 8 | 0 | 4 | 4.8 | FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| CHEMBL1214891 | 15228 | 0 | None | 25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 8 | 0 | 4 | 4.8 | FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 | 10.1021/jm100639f | ||
| 168279369 | 190529 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| CHEMBL5188171 | 190529 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 6 | 0 | 5 | 4.6 | CCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 | 10.1021/acs.jnatprod.2c00365 | ||
| 122186880 | 122452 | 0 | None | 4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| CHEMBL3608450 | 122452 | 0 | None | 4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 44554227 | 18548 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.0 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
| CHEMBL1277837 | 18548 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.0 | CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CCNCC3)ccc21 | 10.1021/jm1007825 | ||
| 20824949 | 66845 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 1 | 2 | 3 | 1.4 | CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| CHEMBL187787 | 66845 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 1 | 2 | 3 | 1.4 | CC(=O)Nc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 | 10.1016/j.bmcl.2005.05.074 | ||
| 667590 | 67437 | 12 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL1909048 | 67437 | 12 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 3 | 0 | 1 | 4.4 | O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 44582676 | 189177 | 0 | None | -295 | 18 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL516088 | 189177 | 0 | None | -295 | 18 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 135511529 135555540 | 10871 | 0 | None | 5 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL1173525 | 10871 | 0 | None | 5 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 240 | 1 | 3 | 2 | 1.5 | CN1C(=N)NC(=O)/C1=C\c1c[nH]c2ccccc12 | 10.1016/j.bmc.2013.09.011 | ||
| 136118661 | 75889 | 0 | None | 6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058429 | 75889 | 0 | None | 6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 346 | 1 | 1 | 2 | 2.7 | C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 44112 | 120764 | 41 | None | -11 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| CHEMBL357995 | 120764 | 41 | None | -11 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| 124247485 | 163506 | 7 | None | 1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 231 | 1 | 2 | 2 | 1.9 | Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| CHEMBL4209274 | 163506 | 7 | None | 1 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 231 | 1 | 2 | 2 | 1.9 | Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1 | 10.1021/acs.jmedchem.8b00642 | ||
| 155563428 | 174704 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 9 | 2.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4572905 | 174704 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 7 | 3 | 9 | 2.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b01662 | ||
| 44581974 | 175121 | 0 | None | -1 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458220 | 175121 | 0 | None | -1 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 25123013 | 198764 | 0 | None | -27 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 3 | 2 | 5 | 2.7 | NC1CN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| CHEMBL598443 | 198764 | 0 | None | -27 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 3 | 2 | 5 | 2.7 | NC1CN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 | 10.1021/jm901674f | ||
| 10383646 | 18560 | 0 | None | -512 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 2.1 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3c2)CC1 | 10.1021/jm1007825 | ||
| CHEMBL1277917 | 18560 | 0 | None | -512 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 2.1 | CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3c2)CC1 | 10.1021/jm1007825 | ||
| 71450247 | 82549 | 0 | None | -19 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| CHEMBL2181188 | 82549 | 0 | None | -19 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.5 | CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1 | 10.1021/jm300943r | ||
| 44404905 | 72020 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 218 | 4 | 2 | 2 | 2.4 | CN(C)CCCc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| CHEMBL198617 | 72020 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 218 | 4 | 2 | 2 | 2.4 | CN(C)CCCc1c[nH]c2cccc(O)c12 | 10.1016/j.bmcl.2005.06.104 | ||
| 17683252 | 67439 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL1909051 | 67439 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 3 | 0 | 1 | 4.8 | O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 142601328 | 184410 | 0 | None | -63 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4854605 | 184410 | 0 | None | -63 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 276 | 2 | 2 | 3 | 2.5 | Clc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1 | 10.1021/acs.jmedchem.1c01093 | ||
| 142601341 | 184780 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| CHEMBL4860503 | 184780 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 272 | 3 | 2 | 4 | 1.9 | COc1cccc(-c2n[nH]cc2N2CCCNCC2)c1 | 10.1021/acs.jmedchem.1c01093 | ||
| 56649648 | 67498 | 0 | None | -301 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910139 | 67498 | 0 | None | -301 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 136118616 | 75880 | 0 | None | 3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058415 | 75880 | 0 | None | 3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 332 | 1 | 2 | 2 | 2.3 | C/N=C1\NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C | 10.1016/j.bmc.2013.09.011 | ||
| 136118646 | 75951 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| CHEMBL2058701 | 75951 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 335 | 1 | 2 | 3 | 3.1 | CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 | 10.1016/j.bmc.2013.09.011 | ||
| 3007 | 155132 | 25 | None | -1 | 6 | Rat | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | None | ||
| CHEMBL405 | 155132 | 25 | None | -1 | 6 | Rat | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 135 | 2 | 1 | 1 | 1.6 | CC(N)Cc1ccccc1 | None | ||
| 10615 | 566 | 26 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 46200932 | 566 | 26 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| CHEMBL4297183 | 566 | 26 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| DB14823 | 566 | 26 | None | 501 | 4 | Human | 11.6 | pKd | = | 11.6 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 136 | 3228 | 28 | None | -12 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 223 | 3228 | 28 | None | -12 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 643606 | 3228 | 28 | None | -12 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| CHEMBL10347 | 3228 | 28 | None | -12 | 16 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 134 | 2468 | 19 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 134 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H- LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 188 | 3327 | 73 | 3H-5HT | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
| 196968 | 3327 | 73 | 3H-5HT | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
| CHEMBL473186 | 3327 | 73 | 3H-5HT | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
| 242 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 467 | 117 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | [3H]-LSD | -1 | 52 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 134 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 5074 | 3268 | 75 | 3H-RAUWOLSCINE | -3 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-RAUWOLSCINE | -3 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-RAUWOLSCINE | -3 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-RAUWOLSCINE | -3 | 30 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| None | 214271 | 0 | 3H-5HT | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
| None | 214271 | 0 | 3H-5HT | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
| 107 | 141 | 116 | 3H-5HT | -4 | 31 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 1833 | 141 | 116 | 3H-5HT | -4 | 31 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| CHEMBL8165 | 141 | 116 | 3H-5HT | -4 | 31 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| None | 214620 | 0 | 3H-MESULERGINE | 5 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
| 4106 | 2456 | 16 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5358812 | 2456 | 16 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 89 | 2456 | 16 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| CHEMBL93240 | 2456 | 16 | 3H-RAUWOLSCINE | -3 | 34 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 134 | 2468 | 19 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-RAUWOLSCINE | -2 | 68 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 133 | 2450 | 48 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | 3H-MESULERGINE | -2 | 43 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 133 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 6437377 | 214165 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 2470 | 3583 | 46 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-KETANSERIN | -23 | 60 | Bovine | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| None | 214271 | 0 | Functional | -2 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
| 1342 | 36 | 42 | 3H-RAUWOLSCINE | 2 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-RAUWOLSCINE | 2 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-RAUWOLSCINE | 2 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| None | 214620 | 0 | Functional | 5 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
| 1621 | 2386 | 16 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2386 | 16 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2386 | 16 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2386 | 16 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2386 | 16 | 3H-5HT | -19 | 45 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5 | 139 | 66 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | Functional | -13 | 55 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 1588 | 2284 | 24 | 3H-5HT | -8 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2284 | 24 | 3H-5HT | -8 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2284 | 24 | 3H-5HT | -8 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2284 | 24 | 3H-5HT | -8 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2284 | 24 | 3H-5HT | -8 | 44 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 188 | 3327 | 73 | 3H-5HT | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
| 196968 | 3327 | 73 | 3H-5HT | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
| CHEMBL473186 | 3327 | 73 | 3H-5HT | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | None | ||
| None | 214693 | 0 | Functional | 1 | 28 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| None | 214580 | 0 | 3H-MESULERGINE | -1 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | ||
| 103 | 4074 | 56 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | 3H-LSD | 1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5074 | 3268 | 75 | 3H-MESULERGINE | -3 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-MESULERGINE | -3 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-MESULERGINE | -3 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-MESULERGINE | -3 | 30 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 189 | 3423 | 31 | UNDEFINED | 2 | 18 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 5163 | 3423 | 31 | UNDEFINED | 2 | 18 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| CHEMBL297784 | 3423 | 31 | UNDEFINED | 2 | 18 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 11954224 | 214164 | 0 | 3H-5HT | -66 | 60 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 1588 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 1588 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2284 | 24 | 3H-MESULERGINE | -8 | 44 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 2435 | 3520 | 78 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3520 | 78 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3520 | 78 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3520 | 78 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3520 | 78 | 3H-LSD | -2 | 49 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 11957541 | 1425 | 38 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | Functional | -2 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 206 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 134 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 6437377 | 214165 | 0 | 3H-5HT | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
| 277 | 1269 | 55 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | 3H-5HT | -5 | 46 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 4106 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5358812 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 89 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| CHEMBL93240 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 135 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 134 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 6437377 | 214165 | 0 | 3H-5HT | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 134 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 133 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | 3H-5HT | -2 | 43 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 11954224 | 214164 | 0 | 3H- LSD | -66 | 60 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 11954224 | 214164 | 0 | 3H-LSD | -66 | 60 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 206 | 2447 | 10 | 3H-RAUWOLSCINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-RAUWOLSCINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-RAUWOLSCINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 206 | 2447 | 10 | 3H-MESULERGINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-MESULERGINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-MESULERGINE | -1 | 25 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 199 | 389 | 0 | 3H-5HT | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| 9821951 | 389 | 0 | 3H-5HT | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| CHEMBL160293 | 389 | 0 | 3H-5HT | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| 5 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 135398737 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 152 | 361 | 18 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2107 | 361 | 18 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| CHEMBL275854 | 361 | 18 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 152 | 361 | 18 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2107 | 361 | 18 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| CHEMBL275854 | 361 | 18 | 3H-5HT | -1 | 19 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 7153 | 97557 | 74 | 3H-RAUWOLSCINE | -1 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-RAUWOLSCINE | -1 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 199 | 389 | 0 | 3H-5HT | -5 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| 9821951 | 389 | 0 | 3H-5HT | -5 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| CHEMBL160293 | 389 | 0 | 3H-5HT | -5 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| 11957541 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1614 | 201951 | 22 | Functional | 2 | 10 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL6731 | 201951 | 22 | Functional | 2 | 10 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
| 24840389 | 114701 | 3 | 3H-MESULERGINE | -741 | 16 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
| CHEMBL334529 | 114701 | 3 | 3H-MESULERGINE | -741 | 16 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
| 1809 | 134 | 28 | 3H-KETANSERIN | -109647 | 37 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | 3H-KETANSERIN | -109647 | 37 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | 3H-KETANSERIN | -109647 | 37 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 1209 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 1357 | 2440 | 133 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 1672 | 2440 | 133 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 224 | 2440 | 133 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 896 | 2440 | 133 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| CHEMBL45 | 2440 | 133 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| DB01065 | 2440 | 133 | 3H-5HT | -3890 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 107992 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 165 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| CHEMBL269521 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| DB12111 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 208 | 2810 | 0 | 3H-5HT | -69 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 4541 | 2810 | 0 | 3H-5HT | -69 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL1494 | 2810 | 0 | 3H-5HT | -69 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 119570 | 3098 | 90 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 119570 | 3098 | 90 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3098 | 90 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3098 | 90 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3098 | 90 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3098 | 90 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3098 | 90 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3098 | 90 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3098 | 90 | 3H-LSD | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3098 | 90 | 3H-MESULERGINE | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 243 | 3141 | 85 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3052762 | 3141 | 85 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3502 | 3141 | 85 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| CHEMBL117287 | 3141 | 85 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| DB06480 | 3141 | 85 | 3H-5HT | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 2 | 3198 | 19 | 3H-MESULERGINE | -363 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 54562 | 3198 | 19 | 3H-MESULERGINE | -363 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| CHEMBL240773 | 3198 | 19 | 3H-MESULERGINE | -363 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 128563 | 3395 | 28 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1666 | 3395 | 28 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| CHEMBL445332 | 3395 | 28 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| DB12327 | 3395 | 28 | 3H-LSD | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 2543 | 3638 | 66 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 2543 | 3638 | 66 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 5358 | 3638 | 66 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 5358 | 3638 | 66 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 54 | 3638 | 66 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 54 | 3638 | 66 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL128 | 3638 | 66 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL128 | 3638 | 66 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB00669 | 3638 | 66 | 3H-5HT | -2818 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB00669 | 3638 | 66 | 3H-5HT | -2818 | 32 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 295 | 6 | 2 | 3 | 1.3 | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 46882133 | 5716 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | ||
| CHEMBL1078896 | 5716 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | ||
| 46882180 | 5749 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | ||
| CHEMBL1079180 | 5749 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | ||
| 2662 | 11264 | 124 | 3H-LSD | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| CHEMBL118 | 11264 | 124 | 3H-LSD | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| 10836 | 14314 | 13 | 3H-LSD | -3 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| CHEMBL1201201 | 14314 | 13 | 3H-LSD | -3 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| 5210 | 33104 | 45 | 3H-5HT | -123 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | None | ||
| CHEMBL1200765 | 33104 | 45 | 3H-5HT | -123 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | None | ||
| CHEMBL1419 | 33104 | 45 | 3H-5HT | -123 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | None | ||
| 156391 | 46522 | 95 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL1200806 | 46522 | 95 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL154 | 46522 | 95 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| 4771 | 50244 | 26 | 3H-5HT | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 1 | 2.0 | CC(C)(N)Cc1ccccc1 | None | ||
| CHEMBL1574 | 50244 | 26 | 3H-5HT | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 1 | 2.0 | CC(C)(N)Cc1ccccc1 | None | ||
| 2244 | 93785 | 96 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| CHEMBL25 | 93785 | 96 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| 4076 | 96572 | 23 | 3H-KETANSERIN | -26 | 8 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 5 | 1 | 4 | 1.2 | COc1cc(CCN)cc(OC)c1OC | None | ||
| CHEMBL26687 | 96572 | 23 | 3H-KETANSERIN | -26 | 8 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 5 | 1 | 4 | 1.2 | COc1cc(CCN)cc(OC)c1OC | None | ||
| 104870 | 98410 | 39 | 3H-MESULERGINE | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98410 | 39 | 3H-MESULERGINE | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98410 | 39 | 3H-MESULERGINE | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 43815 | 186327 | 58 | 3H-5HT | -1995 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186327 | 58 | 3H-5HT | -1995 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186327 | 58 | 3H-5HT | -1995 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 54676228 | 192864 | 108 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| CHEMBL527 | 192864 | 108 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| 4495 | 194850 | 87 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| CHEMBL56367 | 194850 | 87 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| 54677470 | 198857 | 110 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL1256873 | 198857 | 110 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL599 | 198857 | 110 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| 5281600 | 201327 | 85 | 3H-LSD | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL63354 | 201327 | 85 | 3H-LSD | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| 5656 | 201368 | 82 | 3H-5HT | -79 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201368 | 82 | 3H-5HT | -79 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 4158 | 203620 | 21 | 3H-5HT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL1722 | 203620 | 21 | 3H-5HT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL796 | 203620 | 21 | 3H-5HT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| 4054 | 203780 | 64 | 3H-LSD | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 203780 | 64 | 3H-LSD | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 203780 | 64 | 3H-LSD | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 6852400 | 214150 | 0 | 3H-KETANSERIN | -25118 | 22 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
| 73759726 | 214150 | 0 | 3H-KETANSERIN | -25118 | 22 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
| 3821 | 214539 | 0 | 3H-LSD | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(CCCCC1=O)C2=CC=CC=C2Cl | None | ||
| None | 214581 | 0 | 3H-MESULERGINE | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | ||
| 135269 | 214629 | 0 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
| 23681059 | 214630 | 0 | 3H-LSD | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
| 5018304 | 214631 | 0 | 3H-LSD | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
| 3672 | 214632 | 0 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | None | ||
| 84003 | 214633 | 0 | 3H-LSD | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
| 123619 | 214634 | 0 | 3H-LSD | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
| 119828 | 214635 | 0 | 3H-LSD | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
| 5090 | 214636 | 0 | 3H-LSD | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
| None | 214638 | 0 | 3H-LSD | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
| None | 214694 | 0 | 3H-5HT | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 4 | 1 | 1 | 4.6 | CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl | None | ||
| None | 214737 | 0 | 3H-LSD | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
| 1150 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 185 | 3931 | 54 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3931 | 54 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3931 | 54 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3931 | 54 | 3H-5HT | -2344 | 38 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 62787 | 204457 | 17 | 3H-5HT | -10 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
| CHEMBL8642 | 204457 | 17 | 3H-5HT | -10 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
| None | 214356 | 0 | 3H-LSD | -1122 | 24 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | ||
| 102 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 141 | 1394 | 32 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 6089 | 1394 | 32 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| CHEMBL12420 | 1394 | 32 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| DB01488 | 1394 | 32 | 3H-LSD | -1 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 3668 | 214342 | 0 | 3H-LSD | -977 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O | None | ||
| 146 | 135 | 80 | 3H-5HT | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
| 164682 | 135 | 80 | 3H-5HT | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
| CHEMBL275628 | 135 | 80 | 3H-5HT | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
| 1621 | 2386 | 16 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2386 | 16 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2386 | 16 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2386 | 16 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2386 | 16 | 3H-KETANSERIN | -35 | 45 | Bovine | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 15897 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 15897 | 2807 | 0 | 3H-5-HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 15897 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-5-HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-5-HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 5 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 152 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2107 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| CHEMBL275854 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 135398745 | 2858 | 108 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-5HT | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 152 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2107 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| CHEMBL275854 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 45486902 | 195261 | 0 | UNDEFINED | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
| CHEMBL566396 | 195261 | 0 | UNDEFINED | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 449 | 5 | 2 | 4 | 4.6 | O=c1[nH]c2cccc(OCC3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
| 1150 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 1150 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 77590 | 214166 | 0 | 3H-5HT | -15 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 124 | 4 | 0 | 2 | 0.8 | COCCOCCl | None | ||
| 2389 | 3267 | 114 | 35S-GTPGammaS | -79 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 35S-GTPGammaS | -79 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 35S-GTPGammaS | -79 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 35S-GTPGammaS | -79 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 35S-GTPGammaS | -79 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 542051 | 204370 | 4 | 3H-5HT | -128 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
| CHEMBL8569 | 204370 | 4 | 3H-5HT | -128 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
| 1809 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 199 | 389 | 0 | 3H-5HT | -5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| 9821951 | 389 | 0 | 3H-5HT | -5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| CHEMBL160293 | 389 | 0 | 3H-5HT | -5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | None | ||
| 135398745 | 2858 | 108 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 35S-GTPGammaS | -5 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 7153 | 97557 | 74 | 3H-MESULERGINE | -1 | 34 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-MESULERGINE | -1 | 34 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 134 | 2468 | 19 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 125I-DOI | -10 | 68 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| None | 214693 | 0 | Functional | -1 | 28 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| None | 214693 | 0 | UNDEFINED | -1 | 28 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| None | 214158 | 0 | 3H-KETANSERIN | -851 | 24 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
| 2202 | 3071 | 91 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 3071 | 91 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 3071 | 91 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 3071 | 91 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 3071 | 91 | 3H-MESULERGINE | -6 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 221 | 3422 | 63 | 3H-5HT | -4 | 14 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 3277600 | 3422 | 63 | 3H-5HT | -4 | 14 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| CHEMBL323356 | 3422 | 63 | 3H-5HT | -4 | 14 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 5 | 139 | 66 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 125I-DOI | -2951 | 55 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 1809 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 173 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| None | 214451 | 0 | 3H-5HT | -120 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 438 | 5 | 1 | 4 | 4.8 | C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45 | None | ||
| 179 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 77379 | 18841 | 66 | 3H-5HT | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
| CHEMBL1288716 | 18841 | 66 | 3H-5HT | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
| 102 | 4051 | 44 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-RAUWOLSCINE | -93 | 50 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 77158 | 18842 | 48 | 3H-5HT | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
| CHEMBL1288717 | 18842 | 48 | 3H-5HT | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
| None | 215721 | 0 | UNDEFINED | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 421 | 4 | 3 | 4 | 3.3 | C1CC2=C(CC1CNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)C6=C(N2)C=CC(=C6)F | None | ||
| 145 | 140 | 48 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 1832 | 140 | 48 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL7257 | 140 | 48 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB14010 | 140 | 48 | 3H-KETANSERIN | -251 | 30 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 1150 | 3805 | 116 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-KETANSERIN | -56 | 25 | Bovine | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 173 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 25058166 | 214171 | 0 | 3H-MESULERGINE | -66 | 27 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 6852389 | 214171 | 0 | 3H-MESULERGINE | -66 | 27 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| None | 214158 | 0 | 3H-5HT | -33 | 24 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
| 130 | 3431 | 43 | 3H-5HT | -478 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 3378093 | 3431 | 43 | 3H-5HT | -478 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| CHEMBL281350 | 3431 | 43 | 3H-5HT | -478 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 240 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 2769 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 44279790 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 660 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL1729 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL560739 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| DB00604 | 929 | 39 | 3H-5HT | -26 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 2105 | 2993 | 34 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 2993 | 34 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 2993 | 34 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 2993 | 34 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 2993 | 34 | 3H-LSD | -28 | 33 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 186 | 1769 | 47 | 3H-LSD | -575 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 71781 | 1769 | 47 | 3H-LSD | -575 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| CHEMBL18972 | 1769 | 47 | 3H-LSD | -575 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 1353 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| None | 214151 | 0 | 3H-5HT | -2398 | 21 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
| 1809 | 134 | 28 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 124 | 2921 | 44 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 2921 | 44 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 2921 | 44 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 2921 | 44 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 2921 | 44 | 3H-5HT | -181 | 33 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 15897 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -33 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| None | 214151 | 0 | 3H-LSD | -407 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
| 1809 | 134 | 28 | Functional | -999 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | Functional | -999 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | Functional | -999 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 221 | 3422 | 63 | UNDEFINED | 4 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 3277600 | 3422 | 63 | UNDEFINED | 4 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| CHEMBL323356 | 3422 | 63 | UNDEFINED | 4 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 6446436 | 214696 | 0 | 3H-MESULERGINE | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 3 | 4 | 3.2 | CC1=CC2=C(C=C1)C(C3=C2N(C=C3)CC(C)N)(C)C.C(=CC(=O)O)C(=O)O | None | ||
| 134 | 2468 | 19 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | Functional | -2 | 68 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1614 | 201951 | 22 | Functional | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL6731 | 201951 | 22 | Functional | 2 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 179 | 2 | 1 | 3 | 1.3 | CC(N)Cc1ccc2c(c1)OCO2 | None | ||
| 1809 | 134 | 28 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | 3H-5HT | -1659 | 37 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 107992 | 2506 | 47 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 165 | 2506 | 47 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| CHEMBL269521 | 2506 | 47 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| DB12111 | 2506 | 47 | 3H-MESULERGINE | -1 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 28 | 3427 | 37 | 3H-5HT | -954 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 3292447 | 3427 | 37 | 3H-5HT | -954 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| CHEMBL20963 | 3427 | 37 | 3H-5HT | -954 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 2389 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 107 | 141 | 116 | 3H-5HT | -4 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 1833 | 141 | 116 | 3H-5HT | -4 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| CHEMBL8165 | 141 | 116 | 3H-5HT | -4 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| None | 214158 | 0 | 3H-5HT | -12 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
| None | 215723 | 0 | UNDEFINED | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 432 | 3 | 2 | 4 | 3.8 | C1CC2=C(CC1CN3CC4CC3CN4C5=CC=CC6=C5OC(=O)N6)C7=C(N2)C=CC(=C7)F | None | ||
| 105432 | 214244 | 0 | 3H-5HT | -30 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 240 | 5 | 1 | 5 | 1.5 | CC(CC1=CC(=C(C=C1OC)[N+](=O)[O-])OC)N | None | ||
| 18971832 | 2375 | 0 | 3H-5HT | -263 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
| 21 | 2375 | 0 | 3H-5HT | -263 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
| CHEMBL3186179 | 2375 | 0 | 3H-5HT | -263 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
| 37459 | 733 | 10 | 3H-KETANSERIN | -39 | 25 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
| 62 | 733 | 10 | 3H-KETANSERIN | -39 | 25 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
| CHEMBL8514 | 733 | 10 | 3H-KETANSERIN | -39 | 25 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
| None | 214158 | 0 | 3H-5HT | -12 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
| 5268 | 3586 | 34 | 3H-RAUWOLSCINE | -1047 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-RAUWOLSCINE | -1047 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-RAUWOLSCINE | -1047 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 173 | 3199 | 88 | Functional | 1 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | Functional | 1 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | Functional | 1 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 1353 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 119607 | 214637 | 0 | 3H-LSD | 97 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
| 1809 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 4 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL18840 | 134 | 28 | 3H-5HT | -999 | 37 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 31016 | 101804 | 12 | 3H-5HT | -11 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
| CHEMBL30336 | 101804 | 12 | 3H-5HT | -11 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
| 213 | 3780 | 50 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | 3H-LSD | -5 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 134 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-LSD | -2 | 68 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 7153 | 97557 | 74 | 3H-LSD | -1 | 34 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-LSD | -1 | 34 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 135 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 3652 | 4022 | 72 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4022 | 72 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4022 | 72 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4022 | 72 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4022 | 72 | 3H-5HT | -2 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 5268 | 3586 | 34 | 3H-5HT | -616 | 18 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-5HT | -616 | 18 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-5HT | -616 | 18 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 1574 | 81 | 52 | 3H-5HT | -2 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 218 | 81 | 52 | 3H-5HT | -2 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| CHEMBL266591 | 81 | 52 | 3H-5HT | -2 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 135 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1150 | 3805 | 116 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 1150 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 125I-DOI | -8 | 25 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-5HT | -8 | 25 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 152 | 361 | 18 | Functional | 1 | 19 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2107 | 361 | 18 | Functional | 1 | 19 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| CHEMBL275854 | 361 | 18 | Functional | 1 | 19 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 5 | 139 | 66 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | Functional | -13 | 55 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 4106 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5358812 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 89 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| CHEMBL93240 | 2456 | 16 | 3H-5HT | -3 | 34 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| None | 214271 | 0 | 3H-LSD | -2 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 339 | 4 | 3 | 3 | 1.9 | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C | None | ||
| 133 | 2450 | 48 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | 3H-KETANSERIN | -4 | 43 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1524 | 2141 | 89 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-KETANSERIN | -1 | 52 | Bovine | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| None | 214620 | 0 | 3H-5HT | 5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
| 191 | 3429 | 47 | 3H-5HT | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | None | ||
| 443389 | 3429 | 47 | 3H-5HT | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | None | ||
| CHEMBL276140 | 3429 | 47 | 3H-5HT | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | None | ||
| None | 214619 | 0 | 3H-5HT | -2 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 243 | 3 | 1 | 4 | 2.7 | CCC1=CC2=C(O1)C=CC3=C2N(N=C3)CC(C)N | None | ||
| 135409468 | 1996 | 63 | 3H-LSD | 1 | 40 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 1996 | 63 | 3H-LSD | 1 | 40 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 1996 | 63 | 3H-LSD | 1 | 40 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 5 | 139 | 66 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-MESULERGINE | -13 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 155 | 718 | 20 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 163 | 718 | 20 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 62065 | 718 | 20 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| CHEMBL6607 | 718 | 20 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| DB01484 | 718 | 20 | Functional | -5 | 13 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 1588 | 2284 | 24 | 3H-LSD | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2284 | 24 | 3H-LSD | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2284 | 24 | 3H-LSD | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2284 | 24 | 3H-LSD | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2284 | 24 | 3H-LSD | -8 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| None | 214516 | 0 | 3H-LSD | -32 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 426 | 6 | 0 | 6 | 3.4 | C1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1615 | 167217 | 22 | Functional | -2 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167217 | 22 | Functional | -2 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 2389 | 3267 | 114 | 3H-5HT | -660 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-5HT | -660 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-5HT | -660 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-5HT | -660 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-5HT | -660 | 68 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 1524 | 2141 | 89 | 125I-DOI | -158 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 125I-DOI | -158 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 125I-DOI | -158 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 125I-DOI | -158 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 125I-DOI | -158 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 125I-DOI | -158 | 52 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 189 | 3423 | 31 | 3H-LSD | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 5163 | 3423 | 31 | 3H-LSD | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| CHEMBL297784 | 3423 | 31 | 3H-LSD | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 155 | 718 | 20 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 163 | 718 | 20 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 62065 | 718 | 20 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| CHEMBL6607 | 718 | 20 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| DB01484 | 718 | 20 | 3H-5HT | -10 | 13 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 202 | 1475 | 0 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1475 | 0 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1475 | 0 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1475 | 0 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1475 | 0 | 3H-5HT | -1 | 33 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 2477 | 732 | 54 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 36 | 732 | 54 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 437 | 732 | 54 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| CHEMBL49 | 732 | 54 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| DB00490 | 732 | 54 | 3H-5HT | -13 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 1524 | 2141 | 89 | 3H-RAUWOLSCINE | -234 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-RAUWOLSCINE | -234 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-RAUWOLSCINE | -234 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-RAUWOLSCINE | -234 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-RAUWOLSCINE | -234 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-RAUWOLSCINE | -234 | 52 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 2176 | 3065 | 66 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3065 | 66 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3065 | 66 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3065 | 66 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3065 | 66 | 3H-5HT | -933 | 27 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 277 | 1269 | 55 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | 125I-DOI | -26 | 46 | Mouse | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 189 | 3423 | 31 | 3H-5HT | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 5163 | 3423 | 31 | 3H-5HT | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| CHEMBL297784 | 3423 | 31 | 3H-5HT | -5 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 1220 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 31 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 7 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| CHEMBL56 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 6917970 | 3622 | 54 | 3H-LSD | -51 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 8370 | 3622 | 54 | 3H-LSD | -51 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| CHEMBL487387 | 3622 | 54 | 3H-LSD | -51 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 1524 | 2141 | 89 | 3H-MESULERGINE | -234 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-MESULERGINE | -234 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-MESULERGINE | -234 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-MESULERGINE | -234 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-MESULERGINE | -234 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-MESULERGINE | -234 | 52 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 104911 | 214239 | 0 | 3H-LSD | -99 | 38 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| 105432 | 214244 | 0 | 3H-5HT | -44 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 240 | 5 | 1 | 5 | 1.5 | CC(CC1=CC(=C(C=C1OC)[N+](=O)[O-])OC)N | None | ||
| 1150 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 7153 | 97557 | 74 | UNDEFINED | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | UNDEFINED | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| None | 214693 | 0 | UNDEFINED | -1 | 28 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| 198 | 310 | 120 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| 82148 | 310 | 120 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| 99 | 310 | 120 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| CHEMBL10878 | 310 | 120 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| DB06594 | 310 | 120 | 3H-MESULERGINE | -346 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| None | 214158 | 0 | Functional | -33 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 6166 | 214243 | 0 | 3H-5HT | -7 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 330 | 2 | 1 | 3 | 3.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | None | ||
| 155 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 163 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 62065 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| CHEMBL6607 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| DB01484 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 57174031 | 214153 | 0 | 3H-KETANSERIN | -457 | 20 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 284 | 2 | 1 | 3 | 3.0 | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 | None | ||
| 185 | 3931 | 54 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3931 | 54 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3931 | 54 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3931 | 54 | 3H-LSD | -2344 | 38 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 3294 | 1967 | 106 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1967 | 106 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1967 | 106 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1967 | 106 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1967 | 106 | 3H-LSD | -38 | 45 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 3337 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 2865 | 4064 | 67 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-5HT | -12 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 5 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -29 | 55 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -33 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -33 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 1574 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 218 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| CHEMBL266591 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 1574 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 218 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| CHEMBL266591 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 115 | 3720 | 78 | Functional | -1 | 27 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 4296 | 3720 | 78 | Functional | -1 | 27 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| CHEMBL274866 | 3720 | 78 | Functional | -1 | 27 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 2389 | 3267 | 114 | 3H-5HT | -79 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-5HT | -79 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-5HT | -79 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-5HT | -79 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-5HT | -79 | 68 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 1150 | 3805 | 116 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | Functional | -2 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 107992 | 2506 | 47 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 165 | 2506 | 47 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| CHEMBL269521 | 2506 | 47 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| DB12111 | 2506 | 47 | Functional | -1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 11954224 | 214164 | 0 | 3H-5HT | -66 | 60 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| None | 214693 | 0 | 3H-MESULERGINE | 1 | 28 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 1342 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 206 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 135398737 | 942 | 89 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-RAUWOLSCINE | -2 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 206 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 242 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-LSD | -1 | 52 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 11954224 | 214164 | 0 | 3H-5HT | -66 | 60 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 206 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -1 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 5074 | 3268 | 75 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 125I-DOI | -6 | 30 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 1342 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 1621 | 2386 | 16 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2386 | 16 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2386 | 16 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2386 | 16 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2386 | 16 | 3H-LSD | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 1342 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-5HT | 2 | 19 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 1621 | 2386 | 16 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2386 | 16 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2386 | 16 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2386 | 16 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2386 | 16 | 3H-LSD | -39 | 45 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| None | 214151 | 0 | Functional | -407 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
| 6971132 | 214225 | 0 | 3H-LSD | -7 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 268 | 1 | 2 | 2 | 2.1 | CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O | None | ||
| 219050 | 3309 | 21 | 3H-MESULERGINE | -194 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 52 | 3309 | 21 | 3H-MESULERGINE | -194 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| CHEMBL431367 | 3309 | 21 | 3H-MESULERGINE | -194 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 2 | 3198 | 19 | 3H-5HT | -363 | 29 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 54562 | 3198 | 19 | 3H-5HT | -363 | 29 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| CHEMBL240773 | 3198 | 19 | 3H-5HT | -363 | 29 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 186 | 1769 | 47 | 3H-5HT | -575 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 71781 | 1769 | 47 | 3H-5HT | -575 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| CHEMBL18972 | 1769 | 47 | 3H-5HT | -575 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 31016 | 101804 | 12 | 3H-5HT | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
| CHEMBL30336 | 101804 | 12 | 3H-5HT | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 225 | 5 | 1 | 4 | 1.6 | COc1cc(CC(C)N)cc(OC)c1OC | None | ||
| 135398737 | 942 | 89 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-5HT | -36 | 92 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| None | 214158 | 0 | 3H-5HT | -33 | 24 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 346 | 5 | 4 | 4 | 2.5 | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O | None | ||
| 6166 | 214243 | 0 | 3H-5HT | -4 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 330 | 2 | 1 | 3 | 3.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | None | ||
| 1574 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 218 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| CHEMBL266591 | 81 | 52 | 3H-5HT | -3 | 21 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 130 | 3431 | 43 | 35S-GTPGammaS | -478 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 3378093 | 3431 | 43 | 35S-GTPGammaS | -478 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| CHEMBL281350 | 3431 | 43 | 35S-GTPGammaS | -478 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 2470 | 3583 | 46 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-RAUWOLSCINE | -14125 | 60 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 15760 | 112567 | 55 | 3H-5HT | -5 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 174 | 2 | 2 | 1 | 2.0 | Cc1ccc2[nH]cc(CCN)c2c1 | None | ||
| CHEMBL331241 | 112567 | 55 | 3H-5HT | -5 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 174 | 2 | 2 | 1 | 2.0 | Cc1ccc2[nH]cc(CCN)c2c1 | None | ||
| None | 214151 | 0 | 3H-LSD | -407 | 21 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 583 | 4 | 3 | 6 | 2.1 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C | None | ||
| 186 | 1769 | 47 | 3H-5HT | -575 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 71781 | 1769 | 47 | 3H-5HT | -575 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| CHEMBL18972 | 1769 | 47 | 3H-5HT | -575 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -120226 | 60 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 206 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 206 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 1353 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-5HT | -295 | 86 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 1524 | 2141 | 89 | 3H-KETANSERIN | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-KETANSERIN | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-KETANSERIN | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-KETANSERIN | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-KETANSERIN | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-KETANSERIN | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 2220 | 3073 | 78 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 27400 | 3073 | 78 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 93 | 3073 | 78 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| CHEMBL294951 | 3073 | 78 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| DB06153 | 3073 | 78 | 3H-5HT | -10 | 14 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 77158 | 18842 | 48 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
| CHEMBL1288717 | 18842 | 48 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
| 2402 | 3306 | 58 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3306 | 58 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3306 | 58 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3306 | 58 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3306 | 58 | 3H-MESULERGINE | -9 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 145 | 140 | 48 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 1832 | 140 | 48 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL7257 | 140 | 48 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB14010 | 140 | 48 | 3H-LSD | -87 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 77158 | 18842 | 48 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
| CHEMBL1288717 | 18842 | 48 | 3H-5HT | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 238 | 2 | 2 | 1 | 2.4 | NCCc1c[nH]c2ccc(Br)cc12 | None | ||
| 206 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-5HT | -26 | 25 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 115 | 3720 | 78 | 3H-5HT | -1 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 4296 | 3720 | 78 | 3H-5HT | -1 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| CHEMBL274866 | 3720 | 78 | 3H-5HT | -1 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 3337 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -2754 | 52 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 135398737 | 942 | 89 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-LSD | -2 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 138107169 | 214163 | 0 | 3H-RAUWOLSCINE | -33 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-RAUWOLSCINE | -33 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 135 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2865 | 4064 | 67 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-LSD | -12 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 1342 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3117 | 206096 | 100 | None | -8 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
| CHEMBL964 | 206096 | 100 | None | -8 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
| 104903 | 56035 | 14 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
| CHEMBL1630578 | 56035 | 14 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 7153 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-5HT | -1 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 164 | 1427 | 17 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
| 85875 | 1427 | 17 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
| CHEMBL8600 | 1427 | 17 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
| DB01528 | 1427 | 17 | 3H-KETANSERIN | -17 | 10 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 209 | 4 | 1 | 3 | 1.9 | COc1cc(C)c(cc1CC(N)C)OC | None | ||
| 3337 | 214431 | 0 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | Functional | -75 | 41 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| None | 215720 | 0 | UNDEFINED | -83 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 449 | 6 | 3 | 4 | 4.1 | C1CC2=C(CC1CCCNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)NC6=C2C=C(C=C6)F | None | ||
| 107992 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 165 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| CHEMBL269521 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| DB12111 | 2506 | 47 | 3H-5HT | -5 | 10 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 1220 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 31 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 7 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| CHEMBL56 | 186 | 46 | 3H-5HT | -1905 | 45 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 11848624 | 88702 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| CHEMBL236587 | 88702 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | ||
| 2389 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-LSD | -79 | 68 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 1220 | 186 | 46 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 31 | 186 | 46 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 7 | 186 | 46 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| CHEMBL56 | 186 | 46 | 3H-5HT | -3235 | 45 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 3337 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 3337 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 1210 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | 3H-RAUWOLSCINE | -1380 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 155 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 163 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 62065 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| CHEMBL6607 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| DB01484 | 718 | 20 | 3H-5HT | -5 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 11954224 | 214164 | 0 | 3H-LSD | -66 | 60 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 11291 | 3157 | 23 | 3H-KETANSERIN | -44 | 5 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | None | ||
| 4980 | 3157 | 23 | 3H-KETANSERIN | -44 | 5 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | None | ||
| CHEMBL65547 | 3157 | 23 | 3H-KETANSERIN | -44 | 5 | Bovine | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 204 | 3 | 2 | 2 | 2.0 | CN(CCc1c[nH]c2c1c(O)ccc2)C | None | ||
| None | 214693 | 0 | 3H-5HT | 1 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| 173 | 3199 | 88 | 3H-KETANSERIN | -5 | 23 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 3H-KETANSERIN | -5 | 23 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 3H-KETANSERIN | -5 | 23 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 2181 | 3067 | 0 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3067 | 0 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3067 | 0 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3067 | 0 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3067 | 0 | 3H-5HT | -15 | 35 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 15897 | 2807 | 0 | 3H-5-HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 15897 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-5-HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-5-HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 186 | 1769 | 47 | 3H-5HT | -1047 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 71781 | 1769 | 47 | 3H-5HT | -1047 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| CHEMBL18972 | 1769 | 47 | 3H-5HT | -1047 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 5268 | 3586 | 34 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 15897 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 173 | 3199 | 88 | 3H-5HT | 1 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 3H-5HT | 1 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 3H-5HT | 1 | 23 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 11653679 | 180599 | 1 | UNDEFINED | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL476108 | 180599 | 1 | UNDEFINED | -75 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | None | ||
| 10836 | 14314 | 13 | None | -3 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| CHEMBL1201201 | 14314 | 13 | None | -3 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| 5475158 | 66862 | 20 | 3H-KETANSERIN | -1 | 14 | Bovine | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 340 | 8 | 1 | 3 | 4.4 | CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 | None | ||
| CHEMBL18786 | 66862 | 20 | 3H-KETANSERIN | -1 | 14 | Bovine | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 340 | 8 | 1 | 3 | 4.4 | CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 5870 | 31430 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | None | ||
| CHEMBL1405 | 31430 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 270 | 0 | 1 | 2 | 3.8 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | None | ||
| None | 214620 | 0 | 3H-5HT | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 2812 | 4696 | 96 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4696 | 96 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 222757 | 98904 | 70 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | None | ||
| CHEMBL282575 | 98904 | 70 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | None | ||
| 1210 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | None | -1380 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -9 | 30 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 1357 | 2440 | 133 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 1672 | 2440 | 133 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 224 | 2440 | 133 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 896 | 2440 | 133 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| CHEMBL45 | 2440 | 133 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| DB01065 | 2440 | 133 | None | -3890 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 1342 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 1209 | 1620 | 69 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1620 | 69 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1620 | 69 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1620 | 69 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1620 | 69 | None | -199 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3198 | 203792 | 73 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 203792 | 73 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 203792 | 73 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 2406 | 99925 | 84 | None | -27 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
| CHEMBL290106 | 99925 | 84 | None | -27 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
| None | 214620 | 0 | 3H-5HT | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 342 | 4 | 3 | 4 | 2.5 | CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=CC(=O)O)C(=O)O | None | ||
| 66265 | 93566 | 12 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL248702 | 93566 | 12 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 1836 | 2544 | 56 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 3340 | 2544 | 56 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 5281040 | 2544 | 56 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| CHEMBL787 | 2544 | 56 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| DB00471 | 2544 | 56 | None | -69 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 2402 | 3306 | 58 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3306 | 58 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3306 | 58 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3306 | 58 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3306 | 58 | None | -9 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 3598 | 187228 | 73 | None | -2 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
| CHEMBL496 | 187228 | 73 | None | -2 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
| 135 | 2486 | 38 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-RAUWOLSCINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4189 | 205185 | 91 | None | -26 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1559 | 205185 | 91 | None | -26 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL91 | 205185 | 91 | None | -26 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 4943 | 192804 | 100 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | None | ||
| CHEMBL526 | 192804 | 100 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | None | ||
| 3336 | 94547 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1405922 | 94547 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | None | ||
| CHEMBL254832 | 94547 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | None | ||
| 135 | 2486 | 38 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-MESULERGINE | -3 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 189 | 3423 | 31 | 3H-MESULERGINE | -5 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 5163 | 3423 | 31 | 3H-MESULERGINE | -5 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| CHEMBL297784 | 3423 | 31 | 3H-MESULERGINE | -5 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | None | ||
| 4211 | 57502 | 81 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | None | ||
| CHEMBL1670 | 57502 | 81 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | None | ||
| 5353853 | 17788 | 41 | None | -23 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 9556529 | 17788 | 41 | None | -23 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1262 | 17788 | 41 | None | -23 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 1599 | 2299 | 47 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 3955 | 2299 | 47 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 7215 | 2299 | 47 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL841 | 2299 | 47 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| DB00836 | 2299 | 47 | None | -144 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 4209 | 3102 | 71 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | None | -758 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 2142 | 3035 | 54 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | None | -43 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 146 | 135 | 80 | 3H-5HT | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
| 164682 | 135 | 80 | 3H-5HT | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
| CHEMBL275628 | 135 | 80 | 3H-5HT | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 178 | 2 | 2 | 1 | 1.8 | NCCc1c[nH]c2c1cc(F)cc2 | None | ||
| 68617 | 203806 | 60 | None | -15 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 203806 | 60 | None | -15 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 203806 | 60 | None | -15 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 4601 | 205010 | 29 | None | -4 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205010 | 29 | None | -4 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205010 | 29 | None | -4 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 448537 | 159691 | 86 | None | -21 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| CHEMBL411 | 159691 | 86 | None | -21 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| 2176 | 3065 | 66 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3065 | 66 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3065 | 66 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3065 | 66 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3065 | 66 | None | -933 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 1531 | 2226 | 64 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 3869 | 2226 | 64 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 7207 | 2226 | 64 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| CHEMBL429 | 2226 | 64 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| DB00598 | 2226 | 64 | None | -16 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 5318 | 15385 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1200348 | 15385 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1221 | 15385 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 119607 | 214637 | 0 | None | 97 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
| 1227 | 2444 | 35 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
| 2331 | 2444 | 35 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
| 3957 | 2444 | 35 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
| 4992 | 2444 | 35 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
| CHEMBL511 | 2444 | 35 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
| DB06691 | 2444 | 35 | None | -112 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | ||
| 3151 | 1429 | 93 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 945 | 1429 | 93 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 965 | 1429 | 93 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| CHEMBL219916 | 1429 | 93 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| DB01184 | 1429 | 93 | None | -125 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 1343 | 1850 | 55 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 3519 | 1850 | 55 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 522 | 1850 | 55 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| CHEMBL862 | 1850 | 55 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| DB01018 | 1850 | 55 | None | -14 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 1016 | 3678 | 75 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 3678 | 75 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 3678 | 75 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 3678 | 75 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 3678 | 75 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 3678 | 75 | None | -17 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5510 | 204127 | 97 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | None | ||
| CHEMBL83668 | 204127 | 97 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 2 | 0 | 2 | 4.9 | Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1 | None | ||
| 2202 | 3071 | 91 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 3071 | 91 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 3071 | 91 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 3071 | 91 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 3071 | 91 | None | -6 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 2723 | 153500 | 104 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | None | ||
| CHEMBL398440 | 153500 | 104 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | None | ||
| 2771 | 193337 | 67 | None | 1 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 193337 | 67 | None | 1 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 193337 | 67 | None | 1 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 2333 | 141791 | 91 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | None | ||
| CHEMBL388590 | 141791 | 91 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | None | ||
| 135 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2470 | 3583 | 46 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 125I-DOI | -1513 | 60 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 102 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 102 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -93 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 135 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 221 | 3422 | 63 | UNDEFINED | 4 | 14 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 3277600 | 3422 | 63 | UNDEFINED | 4 | 14 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| CHEMBL323356 | 3422 | 63 | UNDEFINED | 4 | 14 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 102 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 1615 | 167217 | 22 | 3H-LSD | -2 | 45 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167217 | 22 | 3H-LSD | -2 | 45 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 122 | 1404 | 9 | 3H-5HT | -100 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 156314 | 1404 | 9 | 3H-5HT | -100 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| CHEMBL1332062 | 1404 | 9 | 3H-5HT | -100 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | None | ||
| 1209 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1620 | 69 | 3H-5HT | -199 | 32 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 5268 | 3586 | 34 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-5HT | -1047 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 208 | 2810 | 0 | 3H-5HT | -69 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 4541 | 2810 | 0 | 3H-5HT | -69 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL1494 | 2810 | 0 | 3H-5HT | -69 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3337 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 3337 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 221 | 3422 | 63 | 3H-MESULERGINE | -4 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 3277600 | 3422 | 63 | 3H-MESULERGINE | -4 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| CHEMBL323356 | 3422 | 63 | 3H-MESULERGINE | -4 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 3337 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 108182 | 4055 | 18 | 3H-5HT | -1 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 309 | 3 | 2 | 4 | 1.8 | COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl | None | ||
| 245 | 4055 | 18 | 3H-5HT | -1 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 309 | 3 | 2 | 4 | 1.8 | COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl | None | ||
| CHEMBL18041 | 4055 | 18 | 3H-5HT | -1 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 309 | 3 | 2 | 4 | 1.8 | COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl | None | ||
| 15897 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-LSD | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 15897 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-5HT | 12 | 37 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 135 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 135 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -37 | 58 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| None | 214245 | 0 | 3H-5HT | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2105 | 2993 | 34 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 2993 | 34 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 2993 | 34 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 2993 | 34 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 2993 | 34 | Functional | -28 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 102 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 135398745 | 2858 | 108 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-5HT | -27 | 66 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 11957541 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-5HT | -2 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 102 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | 3H-5HT | -100 | 50 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 542051 | 204370 | 4 | 3H-5HT | -61 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
| CHEMBL8569 | 204370 | 4 | 3H-5HT | -61 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 237 | 6 | 1 | 3 | 2.5 | CCCc1cc(OC)c(CC(C)N)cc1OC | None | ||
| 1220 | 186 | 46 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 31 | 186 | 46 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 7 | 186 | 46 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| CHEMBL56 | 186 | 46 | 3H-KETANSERIN | -4265 | 45 | Bovine | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 3337 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 11957541 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-KETANSERIN | -17 | 16 | Bovine | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 141 | 1394 | 32 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 6089 | 1394 | 32 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| CHEMBL12420 | 1394 | 32 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| DB01488 | 1394 | 32 | 3H-KETANSERIN | -6 | 22 | Bovine | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 31101 | 719 | 39 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 719 | 39 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 719 | 39 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 719 | 39 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 719 | 39 | 3H-MESULERGINE | -26 | 36 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 2181 | 3067 | 0 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3067 | 0 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3067 | 0 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3067 | 0 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3067 | 0 | 3H-5HT | -478 | 35 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 3337 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 3337 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 3337 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-5-HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-5HT | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 1357 | 2440 | 133 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 1672 | 2440 | 133 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 224 | 2440 | 133 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 896 | 2440 | 133 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| CHEMBL45 | 2440 | 133 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| DB01065 | 2440 | 133 | 3H-MESULERGINE | -3890 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | None | ||
| 115 | 3720 | 78 | 3H-5HT | -1 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 4296 | 3720 | 78 | 3H-5HT | -1 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| CHEMBL274866 | 3720 | 78 | 3H-5HT | -1 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 138107169 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 3H-5HT | -117 | 23 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 283 | 3069 | 47 | 3H-5HT | -562 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
| 4847 | 3069 | 47 | 3H-5HT | -562 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
| CHEMBL18331 | 3069 | 47 | 3H-5HT | -562 | 12 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
| 2726 | 904 | 64 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-KETANSERIN | -3 | 73 | Bovine | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| None | 215721 | 0 | UNDEFINED | -14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 421 | 4 | 3 | 4 | 3.3 | C1CC2=C(CC1CNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)C6=C(N2)C=CC(=C6)F | None | ||
| 44112 | 120764 | 41 | None | -11 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | ||
| CHEMBL357995 | 120764 | 41 | None | -11 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | ||
| 1548955 | 88139 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 2800 | 88139 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| CHEMBL2355051 | 88139 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 3168 | 9157 | 84 | None | -107 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL1108 | 9157 | 84 | None | -107 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| 3042 | 1381 | 31 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1381 | 31 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1381 | 31 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1381 | 31 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1381 | 31 | None | -39 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 5591 | 156977 | 84 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | None | ||
| CHEMBL408 | 156977 | 84 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | None | ||
| 1353 | 1872 | 85 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | None | -295 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 4452 | 2711 | 18 | 3H-LSD | -208 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | None | ||
| 983 | 2711 | 18 | 3H-LSD | -208 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | None | ||
| CHEMBL20734 | 2711 | 18 | 3H-LSD | -208 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | None | ||
| 4178 | 194120 | 58 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | None | ||
| CHEMBL558 | 194120 | 58 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OCC(C)N | None | ||
| 1224 | 1399 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1399 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1399 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1399 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1399 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1399 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 146159245 | 187856 | 27 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
| 451415 | 187856 | 27 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
| 86289437 | 187856 | 27 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
| CHEMBL502620 | 187856 | 27 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 811 | 9 | 4 | 16 | 3.2 | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | None | ||
| 12488 | 1619 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 941361 | 1619 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| CHEMBL30008 | 1619 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| DB04841 | 1619 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 3033538 | 1287 | 36 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| 7155 | 1287 | 36 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| 781 | 1287 | 36 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| CHEMBL1201216 | 1287 | 36 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| DB00298 | 1287 | 36 | None | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| 77379 | 18841 | 66 | 3H-5HT | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
| CHEMBL1288716 | 18841 | 66 | 3H-5HT | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 1 | 2.3 | NCCc1c[nH]c2ccc(Cl)cc12 | None | ||
| 657255 | 197396 | 29 | None | -9 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| CHEMBL588119 | 197396 | 29 | None | -9 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| 176 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 4098 | 32274 | 24 | None | -14 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1255739 | 32274 | 24 | None | -14 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1411979 | 32274 | 24 | None | -14 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| 5282379 | 193304 | 64 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | None | ||
| CHEMBL547 | 193304 | 64 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 | None | ||
| 134 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 2028 | 2919 | 77 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2919 | 77 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2919 | 77 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2919 | 77 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2919 | 77 | None | -40 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 134 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 134 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 6437377 | 214165 | 0 | 3H-5HT | -5 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
| 1547484 | 925 | 70 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 654 | 925 | 70 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 9072 | 925 | 70 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL43064 | 925 | 70 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB00568 | 925 | 70 | None | -8 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 4595 | 176131 | 102 | None | 2 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| CHEMBL46 | 176131 | 102 | None | 2 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| 1782 | 2472 | 81 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| 241 | 2472 | 81 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| 4168 | 2472 | 81 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| CHEMBL86 | 2472 | 81 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| DB01233 | 2472 | 81 | None | -3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| 2477 | 732 | 54 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 36 | 732 | 54 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 437 | 732 | 54 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| CHEMBL49 | 732 | 54 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| DB00490 | 732 | 54 | None | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 5074 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 97 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| CHEMBL267777 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| DB12693 | 3268 | 75 | 3H-5HT | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | None | ||
| 6075 | 149563 | 36 | None | -8 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| CHEMBL395110 | 149563 | 36 | None | -8 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| 2470 | 3583 | 46 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | None | -14125 | 60 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 198 | 310 | 120 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| 82148 | 310 | 120 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| 99 | 310 | 120 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| CHEMBL10878 | 310 | 120 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| DB06594 | 310 | 120 | None | -346 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | None | ||
| 210 | 3408 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
| 2423 | 3408 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
| 5160 | 3408 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
| CHEMBL52939 | 3408 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
| DB12163 | 3408 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | None | ||
| 133 | 2450 | 48 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | 3H-5HT | -12 | 43 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 6726 | 1249 | 46 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 7151 | 1249 | 46 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 749 | 1249 | 46 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL648 | 1249 | 46 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB01176 | 1249 | 46 | None | -7 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 3157 | 1437 | 69 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 7170 | 1437 | 69 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 954 | 1437 | 69 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| CHEMBL707 | 1437 | 69 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| DB00590 | 1437 | 69 | None | -37 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 444795 | 139456 | 102 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | None | ||
| CHEMBL38 | 139456 | 102 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | None | ||
| 2284 | 3121 | 27 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3121 | 27 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3121 | 27 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3121 | 27 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3121 | 27 | None | -16 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 165193 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3126 | 60 | None | -72 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4011 | 81982 | 43 | None | -20 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 81982 | 43 | None | -20 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 3191 | 102372 | 93 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 102372 | 93 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 119584 | 2547 | 99 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
| 1848 | 2547 | 99 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
| 242 | 2547 | 99 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
| CHEMBL60889 | 2547 | 99 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
| DB11675 | 2547 | 99 | None | 1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | None | ||
| 33630 | 178369 | 94 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL47050 | 178369 | 94 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
| 1605 | 2300 | 110 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| 3957 | 2300 | 110 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| 7216 | 2300 | 110 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| CHEMBL998 | 2300 | 110 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| DB00455 | 2300 | 110 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| 2895 | 201889 | 35 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL669 | 201889 | 35 | None | 1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
| 2801 | 161313 | 56 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL1200710 | 161313 | 56 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL415 | 161313 | 56 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| 1222 | 1626 | 44 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3396 | 1626 | 44 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 85 | 1626 | 44 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL46516 | 1626 | 44 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| DB04842 | 1626 | 44 | None | -52 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 11658860 | 2302 | 47 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
| 2941 | 2302 | 47 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
| 4374 | 2302 | 47 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
| CHEMBL360328 | 2302 | 47 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
| DB04871 | 2302 | 47 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | None | ||
| 124 | 2921 | 44 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 2921 | 44 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 2921 | 44 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 2921 | 44 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 2921 | 44 | None | -181 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 6437377 | 214165 | 0 | 3H-5HT | -5 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 500 | 6 | 3 | 7 | 3.2 | CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
| 1201549 | 590 | 22 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 590 | 22 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 590 | 22 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 590 | 22 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 590 | 22 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 590 | 22 | None | -26 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 228 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 33 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 6005 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| CHEMBL53 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| DB00714 | 441 | 26 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 152 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2107 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| CHEMBL275854 | 361 | 18 | 3H-5HT | 1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | None | ||
| 2520 | 202301 | 65 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL1280 | 202301 | 65 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL6966 | 202301 | 65 | None | -4 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| 15897 | 2807 | 0 | Functional | 12 | 37 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | Functional | 12 | 37 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | Functional | 12 | 37 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| None | 214152 | 0 | 3H-KETANSERIN | -19 | 6 | Bovine | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 370 | 6 | 2 | 7 | 2.1 | CC(C1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)O)OC(=O)C(CO)OC | None | ||
| 10624 | 69942 | 17 | 3H-KETANSERIN | -46 | 33 | Bovine | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 69942 | 17 | 3H-KETANSERIN | -46 | 33 | Bovine | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 69942 | 17 | 3H-KETANSERIN | -46 | 33 | Bovine | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 71285 | 214197 | 0 | Functional | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 209 | 3 | 2 | 4 | 1.3 | CC(CC1=CC2=C(C=C1O)OCO2)NC | None | ||
| 283 | 3069 | 47 | 3H-5HT | -57 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
| 4847 | 3069 | 47 | 3H-5HT | -57 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
| CHEMBL18331 | 3069 | 47 | 3H-5HT | -57 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | None | ||
| 115237 | 55281 | 113 | 3H-LSD | -89 | 55 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | 3H-LSD | -89 | 55 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| None | 215720 | 0 | UNDEFINED | -83 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 449 | 6 | 3 | 4 | 4.1 | C1CC2=C(CC1CCCNCC3COC4=C(O3)C=CC5=C4CC(=O)N5)NC6=C2C=C(C=C6)F | None | ||
| 107992 | 2506 | 47 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 165 | 2506 | 47 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| CHEMBL269521 | 2506 | 47 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| DB12111 | 2506 | 47 | 3H-5HT | -1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | None | ||
| 240 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 2769 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 44279790 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 660 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL1729 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL560739 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| DB00604 | 929 | 39 | 3H-5HT | -6 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 7153 | 97557 | 74 | Functional | -1 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | Functional | -1 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| None | 214693 | 0 | Functional | 1 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| 107780 | 1806 | 50 | 3H-5HT | -676 | 18 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 14 | 1806 | 50 | 3H-5HT | -676 | 18 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| CHEMBL15928 | 1806 | 50 | 3H-5HT | -676 | 18 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 173 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 3H-5HT | -3 | 23 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 1574 | 81 | 52 | 125I-DOI | -70 | 21 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 218 | 81 | 52 | 125I-DOI | -70 | 21 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| CHEMBL266591 | 81 | 52 | 125I-DOI | -70 | 21 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | None | ||
| 173 | 3199 | 88 | 125I-DOI | -75 | 23 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 125I-DOI | -75 | 23 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 125I-DOI | -75 | 23 | Mouse | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 1342 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 3 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| CHEMBL277120 | 36 | 42 | 3H-5HT | -4 | 19 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | None | ||
| 44626329 | 195722 | 0 | UNDEFINED | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
| CHEMBL569513 | 195722 | 0 | UNDEFINED | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 420 | 3 | 2 | 4 | 3.7 | O=c1[nH]c2cccc(N3CCN(CC4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 | None | ||
| 3337 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-LSD | -75 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 1210 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 62787 | 204457 | 17 | 3H-KETANSERIN | -64 | 10 | Bovine | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
| CHEMBL8642 | 204457 | 17 | 3H-KETANSERIN | -64 | 10 | Bovine | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 4976 | 201876 | 27 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL668 | 201876 | 27 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| 5440 | 215991 | 0 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 6 | 0 | 5 | 5.0 | CCSC1=CC=C2SC3=CC=CC=C3N(CCCN3CCN(C)CC3)C2=C1 | None | ||
| 5022 | 1613 | 67 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
| 6918248 | 1613 | 67 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
| 8182 | 1613 | 67 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
| CHEMBL231068 | 1613 | 67 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
| DB04908 | 1613 | 67 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | None | ||
| 4543 | 169972 | 36 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169972 | 36 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169972 | 36 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 107 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 1833 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| CHEMBL8165 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 213 | 3780 | 50 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | None | -5 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 11957541 | 1425 | 38 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 1229 | 1425 | 38 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 147 | 1425 | 38 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 170617 | 1425 | 38 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| CHEMBL6616 | 1425 | 38 | 3H-MESULERGINE | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | None | ||
| 2105 | 2993 | 34 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 2993 | 34 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 2993 | 34 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 2993 | 34 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 2993 | 34 | 3H-MESULERGINE | -28 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 2601 | 3709 | 30 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 3709 | 30 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 3709 | 30 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 3709 | 30 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 3709 | 30 | 3H-MESULERGINE | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 100 | 3733 | 52 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | None | -11 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 240 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 2769 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 44279790 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 660 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL1729 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL560739 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| DB00604 | 929 | 39 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 135398737 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2351 | 3222 | 60 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 2820 | 3222 | 60 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 5035 | 3222 | 60 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| CHEMBL81 | 3222 | 60 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| DB00481 | 3222 | 60 | None | -7 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 2274 | 3112 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 3112 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 3112 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 3112 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 3112 | 53 | None | -10 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2099 | 9202 | 49 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | None | ||
| CHEMBL1110 | 9202 | 49 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | None | ||
| 135398745 | 2858 | 108 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-LSD | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 3952 | 1849 | 33 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5353646 | 1849 | 33 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5443 | 1849 | 33 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5702063 | 1849 | 33 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL1331786 | 1849 | 33 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL420 | 1849 | 33 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 115237 | 55281 | 113 | None | -89 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | None | -89 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 2291 | 3123 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 2561 | 3123 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 4932 | 3123 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| CHEMBL631 | 3123 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| DB01182 | 3123 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 216239 | 23576 | 114 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | None | ||
| CHEMBL1200485 | 23576 | 114 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | None | ||
| CHEMBL1336 | 23576 | 114 | None | 2 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | None | ||
| 2726 | 904 | 64 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | None | -19 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 31101 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 719 | 39 | None | -26 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 102 | 4051 | 44 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | None | -100 | 50 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 2181 | 3067 | 0 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3067 | 0 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3067 | 0 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3067 | 0 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3067 | 0 | None | -15 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 2286 | 3122 | 48 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3122 | 48 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3122 | 48 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3122 | 48 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3122 | 48 | None | -5 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 180 | 397 | 50 | None | -35 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | None | -35 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | None | -35 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | None | -35 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | None | -35 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2389 | 3267 | 114 | None | -79 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | None | -79 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | None | -79 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | None | -79 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | None | -79 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 114948 | 216007 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 577 | 5 | 3 | 6 | 2.5 | CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](CC5=CNC6=CC=CC4=C56)N(C)C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C | None | ||
| 6761 | 67442 | 17 | None | -7 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| CHEMBL1909072 | 67442 | 17 | None | -7 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| 1621 | 2386 | 16 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2386 | 16 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2386 | 16 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2386 | 16 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2386 | 16 | None | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 2600 | 3708 | 73 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 2608 | 3708 | 73 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 5405 | 3708 | 73 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| CHEMBL17157 | 3708 | 73 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| DB00342 | 3708 | 73 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 1530 | 2142 | 44 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2142 | 44 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2142 | 44 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2142 | 44 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2142 | 44 | None | -19 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 124087 | 1357 | 106 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 7157 | 1357 | 106 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 814 | 1357 | 106 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| CHEMBL1172 | 1357 | 106 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| DB00967 | 1357 | 106 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 2865 | 4064 | 67 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | None | -12 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 135398737 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1212 | 1624 | 45 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | None | -27 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 26987 | 934 | 29 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 6063 | 934 | 29 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 671 | 934 | 29 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| CHEMBL1626 | 934 | 29 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| DB00283 | 934 | 29 | None | -47 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 2267 | 553 | 64 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 271 | 553 | 64 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 7121 | 553 | 64 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| CHEMBL639 | 553 | 64 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| DB00972 | 553 | 64 | None | -10 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 3652 | 4022 | 72 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4022 | 72 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4022 | 72 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4022 | 72 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4022 | 72 | None | -2 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 2585 | 788 | 100 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 522 | 788 | 100 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 551 | 788 | 100 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| CHEMBL723 | 788 | 100 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| DB01136 | 788 | 100 | None | -18 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 102 | 4051 | 44 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 4051 | 44 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 4051 | 44 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 4051 | 44 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 4051 | 44 | None | -93 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 135398745 | 2858 | 108 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | None | -5 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 134 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 3036864 | 201057 | 16 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1256645 | 201057 | 16 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1814790 | 201057 | 16 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL62 | 201057 | 16 | Functional | -295 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| 1615 | 167217 | 22 | 3H-LSD | -2 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167217 | 22 | 3H-LSD | -2 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 2470 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3583 | 46 | 3H-5HT | -14125 | 60 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 1210 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | 3H-5HT | -1380 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1150 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 125 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL6640 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| DB08653 | 3805 | 116 | 3H-5HT | -2 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | None | ||
| 213 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 21830793 | 91389 | 5 | 3H-8-OH-DPAT | -489 | 46 | Bovine | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91389 | 5 | 3H-8-OH-DPAT | -489 | 46 | Bovine | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 45266826 | 215944 | 0 | [3H] LSD | 2 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 177 | 3 | 1 | 2 | 1.8 | CC1=CC=C(C=C1)C(=O)C(C)NC | None | ||
| 179 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 3H-LSD | -17 | 51 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 24740863 | 88714 | 0 | UNDEFINED | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | ||
| CHEMBL236610 | 88714 | 0 | UNDEFINED | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | ||
| 1524 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2141 | 89 | 3H-5HT | -234 | 52 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 5 | 139 | 66 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-KETANSERIN | -1778 | 55 | Bovine | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 77590 | 214166 | 0 | 3H-5HT | -10 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 124 | 4 | 0 | 2 | 0.8 | COCCOCCl | None | ||
| 221 | 3422 | 63 | 3H-5HT | -4 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| 3277600 | 3422 | 63 | 3H-5HT | -4 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| CHEMBL323356 | 3422 | 63 | 3H-5HT | -4 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | None | ||
| None | 214693 | 0 | UNDEFINED | 1 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| 206 | 2447 | 10 | 3H-KETANSERIN | -5 | 25 | Bovine | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 68848 | 2447 | 10 | 3H-KETANSERIN | -5 | 25 | Bovine | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| CHEMBL12314 | 2447 | 10 | 3H-KETANSERIN | -5 | 25 | Bovine | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | None | ||
| 134551 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| 271 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| 885 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| CHEMBL1403281 | 355 | 25 | None | -6 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| 135 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | None | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2247 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | None | -4 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 1385580 | 29048 | 73 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
| 4615 | 29048 | 73 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
| CHEMBL13828 | 29048 | 73 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
| 191 | 399 | 92 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 201 | 399 | 92 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2170 | 399 | 92 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| CHEMBL1113 | 399 | 92 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| DB00543 | 399 | 92 | None | -5 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2601 | 3709 | 30 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 3709 | 30 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 3709 | 30 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 3709 | 30 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 3709 | 30 | None | -8 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 10531 | 1387 | 18 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 121 | 1387 | 18 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 888 | 1387 | 18 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| CHEMBL1732 | 1387 | 18 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| DB00320 | 1387 | 18 | None | -15 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 107715 | 199250 | 18 | None | -14 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
| CHEMBL1255837 | 199250 | 18 | None | -14 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
| CHEMBL601773 | 199250 | 18 | None | -14 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
| 135526515 | 215990 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 3 | 2.8 | CCCCCNC(=N)NN=CC1=CNC2=C1C=C(OC)C=C2 | None | ||
| 1588 | 2284 | 24 | None | -8 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2284 | 24 | None | -8 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2284 | 24 | None | -8 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2284 | 24 | None | -8 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2284 | 24 | None | -8 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 135398737 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-5HT | -2 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1042 | 1544 | 20 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
| 148 | 1544 | 20 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
| 443884 | 1544 | 20 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
| CHEMBL119443 | 1544 | 20 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
| DB01253 | 1544 | 20 | None | -7 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 3 | 3 | 3 | 1.5 | OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C | None | ||
| 2220 | 3073 | 78 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 27400 | 3073 | 78 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 93 | 3073 | 78 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| CHEMBL294951 | 3073 | 78 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| DB06153 | 3073 | 78 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 3337 | 214431 | 0 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | Functional | -75 | 41 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 11978813 | 712 | 72 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 5014 | 712 | 72 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 7672 | 712 | 72 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| CHEMBL2105760 | 712 | 72 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| DB09128 | 712 | 72 | None | -2 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 133 | 2450 | 48 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | None | -2 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 277 | 1269 | 55 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | None | -5 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 37 | 764 | 56 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 460 | 764 | 56 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 54746 | 764 | 56 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| CHEMBL1201087 | 764 | 56 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| DB00248 | 764 | 56 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 11954224 | 214164 | 0 | None | -66 | 60 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 1621 | 2386 | 16 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2386 | 16 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2386 | 16 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2386 | 16 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2386 | 16 | Functional | -19 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 135 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| None | 214181 | 0 | 3H-KETANSERIN | -147 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 259 | 5 | 1 | 3 | 2.6 | CCC1=CC(=C(C=C1OC)CC(C)N)OC.Cl | None | ||
| 3036864 | 201057 | 16 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1256645 | 201057 | 16 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1814790 | 201057 | 16 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL62 | 201057 | 16 | 3H-5HT | -346 | 28 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| 213 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | 3H-5HT | -5 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 115 | 3720 | 78 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 4296 | 3720 | 78 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| CHEMBL274866 | 3720 | 78 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 173 | 3199 | 88 | 3H-5HT | 1 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3199 | 88 | 3H-5HT | 1 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3199 | 88 | 3H-5HT | 1 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 115 | 3720 | 78 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 4296 | 3720 | 78 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| CHEMBL274866 | 3720 | 78 | 3H-5HT | -2 | 27 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | None | ||
| 2337 | 3193 | 72 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-LSD | -15 | 63 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 134 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -12 | 68 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 119376 | 1803 | 41 | 3H-5HT | -4786 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 1803 | 41 | 3H-5HT | -4786 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 1803 | 41 | 3H-5HT | -4786 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 71299720 | 214162 | 0 | 3H-5HT | -691 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 450 | 3 | 2 | 6 | 3.0 | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O | None | ||
| 1220 | 186 | 46 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 31 | 186 | 46 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 7 | 186 | 46 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| CHEMBL56 | 186 | 46 | Functional | -1905 | 45 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 150 | 2463 | 18 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
| 1764 | 2463 | 18 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
| 8226 | 2463 | 18 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
| CHEMBL1201356 | 2463 | 18 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
| DB00353 | 2463 | 18 | None | 1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | None | ||
| 134 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-5HT | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 107 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 1833 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| CHEMBL8165 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 107 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 1833 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| CHEMBL8165 | 141 | 116 | 3H-5HT | -12 | 31 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | None | ||
| 11154555 | 786 | 57 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 5037 | 786 | 57 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 7671 | 786 | 57 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL2028019 | 786 | 57 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL3085826 | 786 | 57 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB06016 | 786 | 57 | None | -39 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 242 | 467 | 117 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | None | -1 | 52 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 135 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-5HT | -3 | 58 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 46780481 | 107032 | 18 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | None | -57 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 5 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-5HT | -13 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 11848625 | 5700 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
| CHEMBL1078745 | 5700 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | ||
| 62787 | 204457 | 17 | 3H-5HT | -3 | 10 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
| CHEMBL8642 | 204457 | 17 | 3H-5HT | -3 | 10 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 195 | 4 | 1 | 3 | 1.6 | COc1ccc(OC)c(CC(C)N)c1 | None | ||
| 7153 | 97557 | 74 | 3H-KETANSERIN | -50 | 34 | Bovine | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-KETANSERIN | -50 | 34 | Bovine | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| None | 214245 | 0 | 3H-5HT | -10 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214695 | 0 | 3H-5HT | -43 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 4 | 3.4 | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F.Cl | None | ||
| 10624 | 69942 | 17 | 3H-LSD | -7 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 69942 | 17 | 3H-LSD | -7 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 69942 | 17 | 3H-LSD | -7 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 282 | 1386 | 0 | None | -371 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 577 | 5 | 3 | 6 | 2.5 | CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | 23519215 | ||
| 522609 | 1386 | 0 | None | -371 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 577 | 5 | 3 | 6 | 2.5 | CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | 23519215 | ||
| 1621 | 2386 | 16 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
| 17 | 2386 | 16 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
| 5761 | 2386 | 16 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
| CHEMBL263881 | 2386 | 16 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
| DB04829 | 2386 | 16 | None | -19 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 23519215 | ||
| 10287037 | 619 | 0 | None | 31 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 367 | 3 | 0 | 4 | 5.1 | CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1 | 25666387 | ||
| 8424 | 619 | 0 | None | 31 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 367 | 3 | 0 | 4 | 5.1 | CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1 | 25666387 | ||
| 2 | 3198 | 19 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 12388666 | ||
| 2 | 3198 | 19 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 15322733 | ||
| 54562 | 3198 | 19 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 12388666 | ||
| 54562 | 3198 | 19 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 15322733 | ||
| CHEMBL240773 | 3198 | 19 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 12388666 | ||
| CHEMBL240773 | 3198 | 19 | None | -363 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 15322733 | ||
| 11658860 | 2302 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| 2941 | 2302 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| 4374 | 2302 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| CHEMBL360328 | 2302 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| DB04871 | 2302 | 47 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 18252809 | ||
| 45275554 | 3248 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
| 8427 | 3248 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
| CHEMBL3544975 | 3248 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
| DB12798 | 3248 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 492 | 9 | 3 | 6 | 3.7 | COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl | 25316608 | ||
| 11957541 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 11957541 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
| 1229 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 1229 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
| 147 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 147 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
| 170617 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 170617 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
| CHEMBL6616 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| CHEMBL6616 | 1425 | 38 | None | -6 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8450835 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 11957541 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 1229 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 147 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| 170617 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 12970106 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 8078486 | ||
| CHEMBL6616 | 1425 | 38 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1CC(N)C)OC | 9933142 | ||
| 161 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 12970106 | ||
| 161 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15322733 | ||
| 161 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15466450 | ||
| 4284720 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 12970106 | ||
| 4284720 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15322733 | ||
| 4284720 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15466450 | ||
| CHEMBL1255834 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 12970106 | ||
| CHEMBL1255834 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15322733 | ||
| CHEMBL1255834 | 741 | 3 | None | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 286 | 5 | 2 | 3 | 3.7 | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N | 15466450 | ||
| 166 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 15322733 | ||
| 3045227 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 15322733 | ||
| CHEMBL76781 | 3295 | 12 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 226 | 2 | 1 | 2 | 2.8 | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N | 15322733 | ||
| 135 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
| 135 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
| 135 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
| 1796 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
| 1796 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
| 1796 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
| 4184 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
| 4184 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
| 4184 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
| CHEMBL6437 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
| CHEMBL6437 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
| CHEMBL6437 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
| DB06148 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10455251 | ||
| DB06148 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 15322733 | ||
| DB06148 | 2486 | 38 | None | -3 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 9459568 | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
| 134 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
| 1775 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
| 9681 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
| CHEMBL1065 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 11104741 | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 15322733 | ||
| DB00247 | 2468 | 19 | None | -2 | 68 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 9459568 | ||
| 176 | 1502 | 0 | None | 19 | 4 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 326 | 4 | 1 | 5 | 2.8 | Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-] | 15107597 | ||
| 9930789 | 1502 | 0 | None | 19 | 4 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 326 | 4 | 1 | 5 | 2.8 | Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-] | 15107597 | ||
| CHEMBL1628720 | 1502 | 0 | None | 19 | 4 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 326 | 4 | 1 | 5 | 2.8 | Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-] | 15107597 | ||
| 188 | 3327 | 73 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10455251 | ||
| 188 | 3327 | 73 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 15322733 | ||
| 196968 | 3327 | 73 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10455251 | ||
| 196968 | 3327 | 73 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 15322733 | ||
| CHEMBL473186 | 3327 | 73 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 10455251 | ||
| CHEMBL473186 | 3327 | 73 | None | -1 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 281 | 2 | 1 | 3 | 4.1 | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C | 15322733 | ||
| 3763 | 215974 | 0 | None | - | 1 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 184 | 2 | 0 | 1 | 2.4 | FC(F)OC(Cl)C(F)(F)F | None | ||
| 202 | 1475 | 0 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1475 | 0 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1475 | 0 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1475 | 0 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1475 | 0 | None | -1 | 33 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 3337 | 214431 | 0 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | None | -75 | 41 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 4450 | 215981 | 0 | None | -1 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(C2=CC=CC=C2)C2=CC=CC=C2C1 | None | ||
| 6166 | 214243 | 0 | None | -4 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 330 | 2 | 1 | 3 | 3.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | None | ||
| 179 | 396 | 107 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | None | -17 | 51 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 1357 | 2440 | 133 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
| 1672 | 2440 | 133 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
| 224 | 2440 | 133 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
| 896 | 2440 | 133 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
| CHEMBL45 | 2440 | 133 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
| DB01065 | 2440 | 133 | None | -3890 | 9 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | 12750432 | ||
| 1209 | 1620 | 69 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| 203 | 1620 | 69 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| 3386 | 1620 | 69 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| CHEMBL41 | 1620 | 69 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| DB00472 | 1620 | 69 | None | -199 | 32 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| 208 | 2810 | 0 | None | -69 | 13 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| 4541 | 2810 | 0 | None | -69 | 13 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| CHEMBL1494 | 2810 | 0 | None | -69 | 13 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 11104741 | ||
| 1220 | 186 | 46 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
| 1220 | 186 | 46 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
| 31 | 186 | 46 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
| 31 | 186 | 46 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
| 7 | 186 | 46 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
| 7 | 186 | 46 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
| CHEMBL56 | 186 | 46 | None | -1905 | 45 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 15322733 | ||
| CHEMBL56 | 186 | 46 | None | -3235 | 45 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 8450835 | ||
| 1524 | 2141 | 89 | None | -2754 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
| 197 | 2141 | 89 | None | -2754 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
| 3822 | 2141 | 89 | None | -2754 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
| 88 | 2141 | 89 | None | -2754 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
| CHEMBL51 | 2141 | 89 | None | -2754 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
| DB12465 | 2141 | 89 | None | -2754 | 52 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8450835 | ||
| 186 | 1769 | 47 | None | -575 | 17 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 15322733 | ||
| 71781 | 1769 | 47 | None | -575 | 17 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 15322733 | ||
| CHEMBL18972 | 1769 | 47 | None | -575 | 17 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 15322733 | ||
| 2470 | 3583 | 46 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
| 3300 | 3583 | 46 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
| 5265 | 3583 | 46 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
| 99 | 3583 | 46 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
| CHEMBL267930 | 3583 | 46 | None | -120226 | 60 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8450835 | ||
| 2176 | 3065 | 66 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
| 4828 | 3065 | 66 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
| 91 | 3065 | 66 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
| CHEMBL500 | 3065 | 66 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
| DB00960 | 3065 | 66 | None | -933 | 27 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 15322733 | ||
| 29 | 778 | 0 | None | -2511 | 9 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 456 | 5 | 1 | 8 | 3.4 | Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1 | 12130738 | ||
| 9805719 | 778 | 0 | None | -2511 | 9 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 456 | 5 | 1 | 8 | 3.4 | Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1 | 12130738 | ||
| CHEMBL2027925 | 778 | 0 | None | -2511 | 9 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 456 | 5 | 1 | 8 | 3.4 | Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1 | 12130738 | ||
| 18971832 | 2375 | 0 | None | -263 | 13 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | 9395253 | ||
| 21 | 2375 | 0 | None | -263 | 13 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | 9395253 | ||
| CHEMBL3186179 | 2375 | 0 | None | -263 | 13 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | 9395253 | ||
| 28 | 3427 | 37 | None | -954 | 10 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
| 3292447 | 3427 | 37 | None | -954 | 10 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
| CHEMBL20963 | 3427 | 37 | None | -954 | 10 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 486 | 9 | 1 | 7 | 5.2 | COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
| 2202 | 3071 | 91 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 4850 | 3071 | 91 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 49 | 3071 | 91 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| CHEMBL1371770 | 3071 | 91 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| DB12478 | 3071 | 91 | None | -6 | 21 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 130 | 3431 | 43 | None | -478 | 13 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 15322733 | ||
| 3378093 | 3431 | 43 | None | -478 | 13 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 15322733 | ||
| CHEMBL281350 | 3431 | 43 | None | -478 | 13 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 15322733 | ||
| 143 | 3446 | 45 | None | -158 | 7 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 438 | 5 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2 | 10945872 | ||
| 5311096 | 3446 | 45 | None | -158 | 7 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 438 | 5 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2 | 10945872 | ||
| CHEMBL85606 | 3446 | 45 | None | -158 | 7 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 438 | 5 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2 | 10945872 | ||
| 175 | 3585 | 38 | None | -331 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| 68186 | 3585 | 38 | None | -331 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| CHEMBL79834 | 3585 | 38 | None | -331 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 383 | 6 | 1 | 4 | 3.0 | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| 185 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
| 185 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
| 5311271 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
| 5311271 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
| CHEMBL74355 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
| CHEMBL74355 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
| DB16351 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 10188965 | ||
| DB16351 | 3931 | 54 | None | -2344 | 38 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | 15322733 | ||
| 187 | 3324 | 15 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 15322733 | ||
| 187 | 3324 | 15 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 9225287 | ||
| 3693566 | 3324 | 15 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 15322733 | ||
| 3693566 | 3324 | 15 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 9225287 | ||
| CHEMBL88402 | 3324 | 15 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 15322733 | ||
| CHEMBL88402 | 3324 | 15 | None | -288 | 5 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 612 | 11 | 3 | 8 | 3.6 | COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F | 9225287 | ||
| 1353 | 1872 | 85 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
| 3559 | 1872 | 85 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
| 86 | 1872 | 85 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
| CHEMBL54 | 1872 | 85 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
| DB00502 | 1872 | 85 | None | -295 | 86 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 9459568 | ||
| 109 | 887 | 23 | None | -281 | 7 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 334 | 1 | 0 | 4 | 3.3 | CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F | 15322733 | ||
| 2689 | 887 | 23 | None | -281 | 7 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 334 | 1 | 0 | 4 | 3.3 | CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F | 15322733 | ||
| CHEMBL27403 | 887 | 23 | None | -281 | 7 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 334 | 1 | 0 | 4 | 3.3 | CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F | 15322733 | ||
| 2470 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| 2470 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
| 2470 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
| 3300 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| 3300 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
| 3300 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
| 5265 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| 5265 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
| 5265 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
| 99 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| 99 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
| 99 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
| CHEMBL267930 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 15322733 | ||
| CHEMBL267930 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 8078486 | ||
| CHEMBL267930 | 3583 | 46 | None | -14125 | 60 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 9459568 | ||
| 107780 | 1806 | 50 | None | -676 | 18 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
| 14 | 1806 | 50 | None | -676 | 18 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
| CHEMBL15928 | 1806 | 50 | None | -676 | 18 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | 9303567 | ||
| 133633 | 2201 | 46 | None | -87 | 8 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10869410 | ||
| 177 | 2201 | 46 | None | -87 | 8 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10869410 | ||
| CHEMBL445102 | 2201 | 46 | None | -87 | 8 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | 10869410 | ||
| 177336 | 3059 | 45 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
| 225 | 3059 | 45 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
| CHEMBL356359 | 3059 | 45 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
| DB04873 | 3059 | 45 | None | -1412 | 3 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 11504648 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
| 1524 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
| 197 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
| 3822 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
| 88 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
| CHEMBL51 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 12738034 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 15322733 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8078486 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 8845011 | ||
| DB12465 | 2141 | 89 | None | -234 | 52 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 9459568 | ||
| 107992 | 2506 | 47 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
| 165 | 2506 | 47 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
| CHEMBL269521 | 2506 | 47 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
| DB12111 | 2506 | 47 | None | -5 | 10 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 8450835 | ||
| 107992 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
| 107992 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
| 165 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
| 165 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
| CHEMBL269521 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
| CHEMBL269521 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
| DB12111 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 12970106 | ||
| DB12111 | 2506 | 47 | None | -1 | 10 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 198 | 1 | 1 | 4 | 0.5 | Clc1cncc(n1)N1CCNCC1 | 15322733 | ||
| 5268 | 3586 | 34 | None | -1047 | 18 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 9459568 | ||
| 53 | 3586 | 34 | None | -1047 | 18 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 9459568 | ||
| CHEMBL300555 | 3586 | 34 | None | -1047 | 18 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 9459568 | ||
| 1574 | 81 | 52 | None | -3 | 21 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | 8450835 | ||
| 218 | 81 | 52 | None | -3 | 21 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | 8450835 | ||
| CHEMBL266591 | 81 | 52 | None | -3 | 21 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.7 | Cc1c(CCN)c2c([nH]1)ccc(c2)O | 8450835 | ||
| 198 | 310 | 120 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
| 82148 | 310 | 120 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
| 99 | 310 | 120 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
| CHEMBL10878 | 310 | 120 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
| DB06594 | 310 | 120 | None | -346 | 6 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 243 | 4 | 1 | 2 | 2.5 | COc1ccc2c(c1)c(CCNC(=O)C)ccc2 | 12750432 | ||
| 177336 | 3059 | 45 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
| 225 | 3059 | 45 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
| CHEMBL356359 | 3059 | 45 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
| DB04873 | 3059 | 45 | None | -1412 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 369 | 6 | 1 | 4 | 3.7 | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 | 15466450 | ||
| 210 | 3408 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
| 2423 | 3408 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
| 5160 | 3408 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
| CHEMBL52939 | 3408 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
| DB12163 | 3408 | 0 | None | -7 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 429 | 13 | 1 | 6 | 3.2 | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C | 12738034 | ||
| 195 | 3501 | 5 | None | -25 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 228 | 0 | 0 | 2 | 2.1 | CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3 | 15322733 | ||
| 9859407 | 3501 | 5 | None | -25 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 228 | 0 | 0 | 2 | 2.1 | CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3 | 15322733 | ||
| CHEMBL316069 | 3501 | 5 | None | -25 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 228 | 0 | 0 | 2 | 2.1 | CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3 | 15322733 | ||
| 1809 | 134 | 28 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 15322733 | ||
| 1809 | 134 | 28 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
| 4 | 134 | 28 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 15322733 | ||
| 4 | 134 | 28 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
| CHEMBL18840 | 134 | 28 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 15322733 | ||
| CHEMBL18840 | 134 | 28 | None | -999 | 37 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
| 1809 | 134 | 28 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
| 1809 | 134 | 28 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8450835 | ||
| 4 | 134 | 28 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
| 4 | 134 | 28 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8450835 | ||
| CHEMBL18840 | 134 | 28 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8078486 | ||
| CHEMBL18840 | 134 | 28 | None | -1659 | 37 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | 8450835 | ||
| 129 | 3372 | 7 | None | -562 | 9 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 451 | 7 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1 | 10869410 | ||
| 9868452 | 3372 | 7 | None | -562 | 9 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 451 | 7 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1 | 10869410 | ||
| CHEMBL65280 | 3372 | 7 | None | -562 | 9 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 451 | 7 | 1 | 4 | 4.8 | N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1 | 10869410 | ||
| 193 | 3437 | 38 | None | -707 | 5 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 15322733 | ||
| 193 | 3437 | 38 | None | -707 | 5 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 9225286 | ||
| 3644637 | 3437 | 38 | None | -707 | 5 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 15322733 | ||
| 3644637 | 3437 | 38 | None | -707 | 5 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 9225286 | ||
| CHEMBL14563 | 3437 | 38 | None | -707 | 5 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 15322733 | ||
| CHEMBL14563 | 3437 | 38 | None | -707 | 5 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 394 | 3 | 1 | 4 | 5.1 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C | 9225286 | ||
| 228 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 33 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 6005 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| CHEMBL53 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| DB00714 | 441 | 26 | None | -5 | 24 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 173 | 3199 | 88 | None | -3 | 23 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 8450835 | ||
| 5011 | 3199 | 88 | None | -3 | 23 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 8450835 | ||
| CHEMBL18772 | 3199 | 88 | None | -3 | 23 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 8450835 | ||
| 108029 | 3349 | 50 | None | -125 | 13 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 15322733 | ||
| 23 | 3349 | 50 | None | -125 | 13 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 15322733 | ||
| CHEMBL18785 | 3349 | 50 | None | -125 | 13 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 15322733 | ||
| 221 | 3422 | 63 | None | -4 | 14 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 15322733 | ||
| 3277600 | 3422 | 63 | None | -4 | 14 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 15322733 | ||
| CHEMBL323356 | 3422 | 63 | None | -4 | 14 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | 15322733 | ||
| 170 | 2905 | 0 | None | -6 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 265 | 1 | 1 | 3 | 2.2 | FC(c1ccc(nc1Cl)N1CCNCC1)(F)F | 15322733 | ||
| 9796408 | 2905 | 0 | None | -6 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 265 | 1 | 1 | 3 | 2.2 | FC(c1ccc(nc1Cl)N1CCNCC1)(F)F | 15322733 | ||
| CHEMBL506999 | 2905 | 0 | None | -6 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 265 | 1 | 1 | 3 | 2.2 | FC(c1ccc(nc1Cl)N1CCNCC1)(F)F | 15322733 | ||
| 194 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10737744 | ||
| 443391 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10737744 | ||
| CHEMBL14460 | 3438 | 25 | None | -100 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 428 | 3 | 1 | 4 | 5.5 | O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C | 10737744 | ||
| 1150 | 3805 | 116 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
| 1150 | 3805 | 116 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
| 125 | 3805 | 116 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
| 125 | 3805 | 116 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
| CHEMBL6640 | 3805 | 116 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
| CHEMBL6640 | 3805 | 116 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
| DB08653 | 3805 | 116 | None | -2 | 25 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 15322733 | ||
| DB08653 | 3805 | 116 | None | -8 | 25 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 160 | 2 | 2 | 1 | 1.7 | NCCc1c[nH]c2c1cccc2 | 8450835 | ||
| 173 | 3199 | 88 | None | 1 | 23 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 15322733 | ||
| 5011 | 3199 | 88 | None | 1 | 23 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 15322733 | ||
| CHEMBL18772 | 3199 | 88 | None | 1 | 23 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | 15322733 | ||
| 115 | 3720 | 78 | None | -2 | 27 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 8450835 | ||
| 4296 | 3720 | 78 | None | -2 | 27 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 8450835 | ||
| CHEMBL274866 | 3720 | 78 | None | -2 | 27 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 8450835 | ||
| 213 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
| 213 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
| 2717 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
| 2717 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
| 5533 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
| 5533 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
| CHEMBL621 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
| CHEMBL621 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
| DB00656 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 11104741 | ||
| DB00656 | 3780 | 50 | None | -5 | 44 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 15322733 | ||
| 115 | 3720 | 78 | None | -1 | 27 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 15322733 | ||
| 4296 | 3720 | 78 | None | -1 | 27 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 15322733 | ||
| CHEMBL274866 | 3720 | 78 | None | -1 | 27 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 230 | 1 | 1 | 2 | 2.1 | FC(c1cccc(c1)N1CCNCC1)(F)F | 15322733 | ||
| 31101 | 719 | 39 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| 35 | 719 | 39 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| 403 | 719 | 39 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| CHEMBL493 | 719 | 39 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| DB01200 | 719 | 39 | None | -26 | 36 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| 135 | 2486 | 38 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
| 1796 | 2486 | 38 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
| 4184 | 2486 | 38 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
| CHEMBL6437 | 2486 | 38 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
| DB06148 | 2486 | 38 | None | -37 | 58 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 8450835 | ||
| 15897 | 2807 | 0 | None | 12 | 37 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| 215 | 2807 | 0 | None | 12 | 37 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| CHEMBL1979333 | 2807 | 0 | None | 12 | 37 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| 12895728 | 2808 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| 217 | 2808 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| CHEMBL250881 | 2808 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| 102 | 4051 | 44 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| 3659 | 4051 | 44 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| 8969 | 4051 | 44 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| CHEMBL15245 | 4051 | 44 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| DB01392 | 4051 | 44 | None | -100 | 50 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| 157 | 2030 | 5 | None | -134 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 15322733 | ||
| 157 | 2030 | 5 | None | -134 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 9857084 | ||
| 9840090 | 2030 | 5 | None | -134 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 15322733 | ||
| 9840090 | 2030 | 5 | None | -134 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 9857084 | ||
| CHEMBL134519 | 2030 | 5 | None | -134 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 15322733 | ||
| CHEMBL134519 | 2030 | 5 | None | -134 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 9857084 | ||
| 10 | 714 | 23 | None | -3 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 406 | 6 | 1 | 3 | 4.7 | Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O | 9303567 | ||
| 3654103 | 714 | 23 | None | -3 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 406 | 6 | 1 | 3 | 4.7 | Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O | 9303567 | ||
| CHEMBL534232 | 714 | 23 | None | -3 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 406 | 6 | 1 | 3 | 4.7 | Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O | 9303567 | ||
| 206 | 2447 | 10 | None | -26 | 25 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 8450835 | ||
| 68848 | 2447 | 10 | None | -26 | 25 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 8450835 | ||
| CHEMBL12314 | 2447 | 10 | None | -26 | 25 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 8450835 | ||
| 171 | 2907 | 0 | None | -5 | 3 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 233 | 3 | 1 | 3 | 1.9 | COc1ccc2c(c1O[C@@H]1CNCC1)CCC2 | 15322733 | ||
| 9794656 | 2907 | 0 | None | -5 | 3 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 233 | 3 | 1 | 3 | 1.9 | COc1ccc2c(c1O[C@@H]1CNCC1)CCC2 | 15322733 | ||
| 136 | 3228 | 28 | None | -85 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| 223 | 3228 | 28 | None | -85 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| 643606 | 3228 | 28 | None | -85 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| CHEMBL10347 | 3228 | 28 | None | -85 | 16 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8450835 | ||
| 155 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
| 155 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
| 163 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
| 163 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
| 62065 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
| 62065 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
| CHEMBL6607 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
| CHEMBL6607 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
| DB01484 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 15322733 | ||
| DB01484 | 718 | 20 | None | -5 | 13 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 273 | 4 | 1 | 3 | 2.4 | COc1cc(Br)c(cc1CC(N)C)OC | 9933142 | ||
| 219050 | 3309 | 21 | None | -194 | 21 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| 52 | 3309 | 21 | None | -194 | 21 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| CHEMBL431367 | 3309 | 21 | None | -194 | 21 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| 168 | 3907 | 11 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 15322733 | ||
| 6604042 | 3907 | 11 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 15322733 | ||
| CHEMBL309760 | 3907 | 11 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | 15322733 | ||
| 153 | 1426 | 5 | None | -25 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | 15322733 | ||
| 6603801 | 1426 | 5 | None | -25 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | 15322733 | ||
| CHEMBL1434583 | 1426 | 5 | None | -25 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | 15322733 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 8450835 | ||
| 102 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
| 102 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
| 102 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 3659 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
| 3659 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
| 3659 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 8969 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
| 8969 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
| 8969 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| CHEMBL15245 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
| CHEMBL15245 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
| CHEMBL15245 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| DB01392 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10455251 | ||
| DB01392 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8078486 | ||
| DB01392 | 4051 | 44 | None | -93 | 50 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 157 | 2030 | 5 | None | -134 | 5 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 12954071 | ||
| 9840090 | 2030 | 5 | None | -134 | 5 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 12954071 | ||
| CHEMBL134519 | 2030 | 5 | None | -134 | 5 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@H](N)C)OC | 12954071 | ||
| 3652 | 4022 | 72 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 57 | 4022 | 72 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 60809 | 4022 | 72 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| CHEMBL21536 | 4022 | 72 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| DB15357 | 4022 | 72 | None | -2 | 18 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 108029 | 3349 | 50 | None | -15 | 13 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 8450835 | ||
| 23 | 3349 | 50 | None | -15 | 13 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 8450835 | ||
| CHEMBL18785 | 3349 | 50 | None | -15 | 13 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 228 | 2 | 2 | 2 | 2.6 | COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 | 8450835 | ||
| 13878025 | 2384 | 0 | None | -19 | 3 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 342 | 3 | 2 | 4 | 2.4 | CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O | 8450835 | ||
| 184 | 2384 | 0 | None | -19 | 3 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 342 | 3 | 2 | 4 | 2.4 | CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O | 8450835 | ||
| CHEMBL52422 | 2384 | 0 | None | -19 | 3 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 342 | 3 | 2 | 4 | 2.4 | CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O | 8450835 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
| 1355 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
| 142 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
| CHEMBL478 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 11104741 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 12970106 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 15322733 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9459568 | ||
| DB12110 | 1972 | 82 | None | -1 | 16 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 9933142 | ||
| 5 | 139 | 66 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
| 5202 | 139 | 66 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
| CHEMBL39 | 139 | 66 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
| DB08839 | 139 | 66 | None | -29 | 55 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8450835 | ||
| 107 | 141 | 116 | None | -12 | 31 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | 8450835 | ||
| 1833 | 141 | 116 | None | -12 | 31 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | 8450835 | ||
| CHEMBL8165 | 141 | 116 | None | -12 | 31 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 3 | 2 | 2 | 1.7 | NCCc1c[nH]c2c1cc(OC)cc2 | 8450835 | ||
| 152 | 361 | 18 | None | -1 | 19 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8450835 | ||
| 2107 | 361 | 18 | None | -1 | 19 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8450835 | ||
| CHEMBL275854 | 361 | 18 | None | -1 | 19 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8450835 | ||
| 199 | 389 | 0 | None | -5 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | 8450835 | ||
| 9821951 | 389 | 0 | None | -5 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | 8450835 | ||
| CHEMBL160293 | 389 | 0 | None | -5 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 393 | 3 | 1 | 3 | 4.6 | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 | 8450835 | ||
| 216 | 2809 | 29 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| 9815618 | 2809 | 29 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| CHEMBL253811 | 2809 | 29 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 203 | 2 | 1 | 1 | 2.6 | C[C@@H](Cc1cccc(c1)C(F)(F)F)N | 11104741 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15322733 | ||
| 189 | 3423 | 31 | None | -5 | 18 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15466450 | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15322733 | ||
| 5163 | 3423 | 31 | None | -5 | 18 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15466450 | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15322733 | ||
| CHEMBL297784 | 3423 | 31 | None | -5 | 18 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | 15466450 | ||
| 192 | 3433 | 46 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10188965 | ||
| 192 | 3433 | 46 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10737744 | ||
| 443390 | 3433 | 46 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10188965 | ||
| 443390 | 3433 | 46 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10737744 | ||
| CHEMBL14276 | 3433 | 46 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10188965 | ||
| CHEMBL14276 | 3433 | 46 | None | -10 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | 10737744 | ||
| 136 | 3228 | 28 | None | -12 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 223 | 3228 | 28 | None | -12 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 643606 | 3228 | 28 | None | -12 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| CHEMBL10347 | 3228 | 28 | None | -12 | 16 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 9459568 | ||
| 152 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15322733 | ||
| 152 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15466450 | ||
| 152 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8078486 | ||
| 2107 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15322733 | ||
| 2107 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15466450 | ||
| 2107 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8078486 | ||
| CHEMBL275854 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15322733 | ||
| CHEMBL275854 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 15466450 | ||
| CHEMBL275854 | 361 | 18 | None | 1 | 19 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 190 | 2 | 3 | 2 | 1.8 | CC(Cc1c[nH]c2c1cc(O)cc2)N | 8078486 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
| 5 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
| 5202 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
| CHEMBL39 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 11104741 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 12954071 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15322733 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 15466450 | ||
| DB08839 | 139 | 66 | None | -13 | 55 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 8078486 | ||
| 183 | 2382 | 0 | None | -5 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 8450835 | ||
| 3034814 | 2382 | 0 | None | -5 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 8450835 | ||
| CHEMBL1356280 | 2382 | 0 | None | -5 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 8450835 | ||
| 133 | 2450 | 48 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
| 1723 | 2450 | 48 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
| 28693 | 2450 | 48 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
| CHEMBL19215 | 2450 | 48 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
| DB13520 | 2450 | 48 | None | -12 | 43 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 8450835 | ||
| 134 | 2468 | 19 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
| 1775 | 2468 | 19 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
| 9681 | 2468 | 19 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
| CHEMBL1065 | 2468 | 19 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
| DB00247 | 2468 | 19 | None | -12 | 68 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 8450835 | ||
| 2105 | 2993 | 34 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 47811 | 2993 | 34 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 48 | 2993 | 34 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| CHEMBL531 | 2993 | 34 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| DB01186 | 2993 | 34 | None | -28 | 33 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 2601 | 3709 | 30 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 443951 | 3709 | 30 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 56 | 3709 | 30 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| CHEMBL73151 | 3709 | 30 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| DB13399 | 3709 | 30 | None | -8 | 21 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 10331436 | 321 | 7 | None | -25 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 12954071 | ||
| 160 | 321 | 7 | None | -25 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 12954071 | ||
| CHEMBL133455 | 321 | 7 | None | -25 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 12954071 | ||
| 1621 | 2386 | 16 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
| 17 | 2386 | 16 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
| 5761 | 2386 | 16 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
| CHEMBL263881 | 2386 | 16 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
| DB04829 | 2386 | 16 | None | -39 | 45 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12213075 | ||
| 5074 | 3268 | 75 | None | -9 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
| 97 | 3268 | 75 | None | -9 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
| CHEMBL267777 | 3268 | 75 | None | -9 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
| DB12693 | 3268 | 75 | None | -9 | 30 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 8450835 | ||
| 10449757 | 3426 | 26 | None | 3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10188965 | ||
| 190 | 3426 | 26 | None | 3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10188965 | ||
| CHEMBL2110371 | 3426 | 26 | None | 3 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 337 | 1 | 1 | 2 | 4.8 | O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2 | 10188965 | ||
| 1342 | 36 | 42 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
| 1342 | 36 | 42 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8450835 | ||
| 3 | 36 | 42 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
| 3 | 36 | 42 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8450835 | ||
| CHEMBL277120 | 36 | 42 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
| CHEMBL277120 | 36 | 42 | None | -4 | 19 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8450835 | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
| 135398737 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
| 38 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
| 722 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
| CHEMBL42 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15322733 | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9459568 | ||
| DB00363 | 942 | 89 | None | -2 | 92 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 9732398 | ||
| 167 | 3364 | 0 | None | -3 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 385 | 7 | 0 | 5 | 3.6 | Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2 | 9732398 | ||
| 9821498 | 3364 | 0 | None | -3 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 385 | 7 | 0 | 5 | 3.6 | Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2 | 9732398 | ||
| 135409453 | 3702 | 38 | None | 2 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 15466450 | ||
| 226 | 3702 | 38 | None | 2 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 15466450 | ||
| CHEMBL76370 | 3702 | 38 | None | 2 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 15466450 | ||
| 191 | 3429 | 47 | None | -1 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 15322733 | ||
| 443389 | 3429 | 47 | None | -1 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 15322733 | ||
| CHEMBL276140 | 3429 | 47 | None | -1 | 3 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 353 | 2 | 1 | 3 | 4.4 | CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1 | 15322733 | ||
| 206 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15107597 | ||
| 206 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15322733 | ||
| 206 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 9459568 | ||
| 68848 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15107597 | ||
| 68848 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15322733 | ||
| 68848 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 9459568 | ||
| CHEMBL12314 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15107597 | ||
| CHEMBL12314 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 15322733 | ||
| CHEMBL12314 | 2447 | 10 | None | -1 | 25 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 362 | 3 | 1 | 4 | 1.3 | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C | 9459568 | ||
| 1342 | 36 | 42 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
| 1342 | 36 | 42 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 9459568 | ||
| 3 | 36 | 42 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
| 3 | 36 | 42 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 9459568 | ||
| CHEMBL277120 | 36 | 42 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 8078486 | ||
| CHEMBL277120 | 36 | 42 | None | 2 | 19 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | 9459568 | ||
| 1043 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
| 1043 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
| 149 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
| 149 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
| 8223 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
| 8223 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
| CHEMBL442 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
| CHEMBL442 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
| DB00696 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 11104741 | ||
| DB00696 | 1545 | 13 | None | -22 | 29 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 15322733 | ||
| 133 | 2450 | 48 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
| 1723 | 2450 | 48 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
| 28693 | 2450 | 48 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
| CHEMBL19215 | 2450 | 48 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
| DB13520 | 2450 | 48 | None | -2 | 43 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 15322733 | ||
| 37 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 460 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 54746 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| CHEMBL1201087 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| DB00248 | 764 | 56 | None | 1 | 17 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 1588 | 2284 | 24 | None | -8 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 28864 | 2284 | 24 | None | -8 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 43 | 2284 | 24 | None | -8 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| CHEMBL157138 | 2284 | 24 | None | -8 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| DB00589 | 2284 | 24 | None | -8 | 44 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 4106 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
| 4106 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
| 5358812 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
| 5358812 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
| 89 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
| 89 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
| CHEMBL93240 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 15322733 | ||
| CHEMBL93240 | 2456 | 16 | None | -3 | 34 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | 9459568 | ||
| 5074 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
| 5074 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
| 5074 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
| 5074 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
| 97 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
| 97 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
| 97 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
| 97 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
| CHEMBL267777 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
| CHEMBL267777 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
| CHEMBL267777 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
| CHEMBL267777 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
| DB12693 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10188965 | ||
| DB12693 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10455251 | ||
| DB12693 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 15322733 | ||
| DB12693 | 3268 | 75 | None | -3 | 30 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 9459568 | ||
| 183 | 2382 | 0 | None | 2 | 4 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 9459568 | ||
| 3034814 | 2382 | 0 | None | 2 | 4 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 9459568 | ||
| CHEMBL1356280 | 2382 | 0 | None | 2 | 4 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | 384 | 4 | 1 | 5 | 3.5 | CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C | 9459568 | ||
| 154 | 2317 | 0 | None | -1 | 4 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 15322733 | ||
| 638252 | 2317 | 0 | None | -1 | 4 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 15322733 | ||
| 150 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
| 150 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
| 1764 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
| 1764 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
| 8226 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
| 8226 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
| CHEMBL1201356 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
| CHEMBL1201356 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||
| DB00353 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 11104741 | ||
| DB00353 | 2463 | 18 | None | 1 | 16 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 15322733 | ||