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 |
| 521 | 1372 | 64 | None | 4 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 5311068 | 1372 | 64 | None | 4 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 835 | 1372 | 64 | None | 4 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| CHEMBL778 | 1372 | 64 | None | 4 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| DB00633 | 1372 | 64 | None | 4 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 1593 | 2298 | 60 | None | 4 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 30668 | 2298 | 60 | None | 4 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 9868 | 2298 | 60 | None | 4 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL17860 | 2298 | 60 | None | 4 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| DB04948 | 2298 | 60 | None | 4 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 57345628 | 70824 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956195 | 70824 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57345628 | 70824 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1956195 | 70824 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 70695474 | 77304 | 0 | None | 794 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL2089156 | 77304 | 0 | None | 794 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 44292386 | 100999 | 0 | None | 35 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL297827 | 100999 | 0 | None | 35 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 16757089 | 91845 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL242693 | 91845 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 57345626 | 70821 | 2 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956192 | 70821 | 2 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 24906199 | 187072 | 12 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495096 | 187072 | 12 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| 16757089 | 91845 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242693 | 91845 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 49836306 | 18373 | 0 | None | 31 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276247 | 18373 | 0 | None | 31 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11361608 | 84307 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL222928 | 84307 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11361608 | 84307 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222928 | 84307 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44269140 | 33319 | 0 | None | 17 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL14208 | 33319 | 0 | None | 17 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44371745 | 49009 | 0 | None | 100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL156336 | 49009 | 0 | None | 100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57402718 | 70830 | 2 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956201 | 70830 | 2 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 11097789 | 102511 | 0 | None | -16 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 102511 | 0 | None | -16 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11361608 | 84307 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL222928 | 84307 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 24906196 | 186653 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL492639 | 186653 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 135453290 | 133070 | 23 | None | -5011 | 8 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL371300 | 133070 | 23 | None | -5011 | 8 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 57399145 | 70825 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956196 | 70825 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 131829 | 203010 | 11 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL74283 | 203010 | 11 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| 9859437 | 167448 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
| CHEMBL432155 | 167448 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
| 11043720 | 91726 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL242265 | 91726 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11043720 | 91726 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242265 | 91726 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 10221005 | 202609 | 0 | None | -575 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71479 | 202609 | 0 | None | -575 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 57345627 | 70823 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956194 | 70823 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 2683 | 3762 | 57 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 5487 | 3762 | 57 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 7308 | 3762 | 57 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| CHEMBL1079 | 3762 | 57 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| DB00697 | 3762 | 57 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 49836304 | 18369 | 1 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276219 | 18369 | 1 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 24906159 | 186812 | 12 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL493675 | 186812 | 12 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
| 44292385 | 100639 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL295186 | 100639 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 1242 | 3543 | 23 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 935 | 3543 | 23 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL286080 | 3543 | 23 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 185076 | 186497 | 4 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL49137 | 186497 | 4 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 42669828 | 121191 | 2 | None | - | 1 | Human | 3.8 | pEC50 | = | 3.8 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588911 | 121191 | 2 | None | - | 1 | Human | 3.8 | pEC50 | = | 3.8 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
| 11140345 | 202461 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 202461 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487962 | 195799 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL569933 | 195799 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| 11361608 | 84307 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222928 | 84307 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11277479 | 84312 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
| CHEMBL222973 | 84312 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
| 57345625 | 70820 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956191 | 70820 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 13178306 | 121182 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588902 | 121182 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
| 10333157 | 150694 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL396013 | 150694 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10333157 | 150694 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL396013 | 150694 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 49836302 | 18364 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276139 | 18364 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836302 | 18364 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1276139 | 18364 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| 68712 | 99861 | 57 | None | 1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL289480 | 99861 | 57 | None | 1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| 57395731 | 70831 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956202 | 70831 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 481 | 2836 | 5 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 9838763 | 2836 | 5 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| CHEMBL72958 | 2836 | 5 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 10199335 | 203029 | 0 | None | -120 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74467 | 203029 | 0 | None | -120 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 218362 | 203082 | 5 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL75030 | 203082 | 5 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 11109088 | 202470 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 202470 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 23622576 | 172193 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL451229 | 172193 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| 44292232 | 100838 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL296660 | 100838 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 44314200 | 102466 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL306377 | 102466 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 45487955 | 196623 | 0 | None | 125 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL576078 | 196623 | 0 | None | 125 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 49836301 | 18365 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276140 | 18365 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836308 | 18582 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1278084 | 18582 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836301 | 18365 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1276140 | 18365 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| 49836307 | 18583 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1278085 | 18583 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10266032 | 188284 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL50720 | 188284 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 44421258 | 84308 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL1204386 | 84308 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL222933 | 84308 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 44371755 | 48498 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL155866 | 48498 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44371864 | 50853 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL157955 | 50853 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 11000184 | 12926 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 12926 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 12926 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10859076 | 13555 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1194763 | 13555 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL553276 | 13555 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487958 | 196704 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL576819 | 196704 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| 2435 | 713 | 98 | None | -1 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 395 | 713 | 98 | None | -1 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 520 | 713 | 98 | None | -1 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 5386 | 713 | 98 | None | -1 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| CHEMBL844 | 713 | 98 | None | -1 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| DB00484 | 713 | 98 | None | -1 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 3086326 | 202816 | 17 | None | -13 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72753 | 202816 | 17 | None | -13 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 57400959 | 70829 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956200 | 70829 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 70693375 | 77303 | 0 | None | 12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL2089155 | 77303 | 0 | None | 12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 24906241 | 192205 | 0 | None | 7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| CHEMBL522151 | 192205 | 0 | None | 7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| 434526 | 77200 | 27 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL2087646 | 77200 | 27 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
| 9816461 | 10604 | 6 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117094 | 10604 | 6 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL544290 | 10604 | 6 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 32238 | 22439 | 108 | None | - | 1 | Human | 3.5 | pEC50 | = | 3.5 | Functional | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL1327 | 22439 | 108 | None | - | 1 | Human | 3.5 | pEC50 | = | 3.5 | Functional | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
| 2146 | 3039 | 63 | None | -57 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 485 | 3039 | 63 | None | -57 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 6041 | 3039 | 63 | None | -57 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| CHEMBL1215 | 3039 | 63 | None | -57 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| DB00388 | 3039 | 63 | None | -57 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 122180567 | 121184 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588904 | 121184 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| 49836303 | 18370 | 1 | None | 89 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276220 | 18370 | 1 | None | 89 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 24906197 | 187073 | 0 | None | 8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495097 | 187073 | 0 | None | 8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 11300487 | 84564 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223830 | 84564 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
| 16757089 | 91845 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242693 | 91845 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 45487956 | 196680 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
| CHEMBL576623 | 196680 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 44549156 | 18368 | 0 | None | 79 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276218 | 18368 | 0 | None | 79 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11265631 | 135873 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL373535 | 135873 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 2765 | 928 | 16 | None | -31 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 515 | 928 | 16 | None | -31 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| CHEMBL13852 | 928 | 16 | None | -31 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| DB09202 | 928 | 16 | None | -31 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 44269089 | 96544 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL266613 | 96544 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44314198 | 103920 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL310335 | 103920 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 9815707 | 100986 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL297752 | 100986 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 11058166 | 202989 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74114 | 202989 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11346584 | 136447 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL374584 | 136447 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11346584 | 136447 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL374584 | 136447 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11346584 | 136447 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL374584 | 136447 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 57345629 | 70826 | 0 | None | 269 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956197 | 70826 | 0 | None | 269 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 46743607 | 121185 | 0 | None | - | 1 | Human | 3.3 | pEC50 | = | 3.3 | Functional | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588905 | 121185 | 0 | None | - | 1 | Human | 3.3 | pEC50 | = | 3.3 | Functional | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| 11140347 | 202818 | 0 | None | -3 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 202818 | 0 | None | -3 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11108001 | 10756 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 10756 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 10756 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487145 | 195972 | 0 | None | 19 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL570973 | 195972 | 0 | None | 19 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 24906198 | 187071 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL495095 | 187071 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
| 11265631 | 135873 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL373535 | 135873 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 24906198 | 187071 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL495095 | 187071 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
| 24906198 | 187071 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495095 | 187071 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 11265631 | 135873 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL373535 | 135873 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11173568 | 84204 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222371 | 84204 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 24906160 | 168878 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL442815 | 168878 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 11090351 | 162827 | 0 | None | -20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL419448 | 162827 | 0 | None | -20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10221004 | 202521 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70973 | 202521 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11079 | 2683 | 59 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 3369 | 2683 | 59 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 4436 | 2683 | 59 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 5509 | 2683 | 59 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL761 | 2683 | 59 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| DB06711 | 2683 | 59 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 2803 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 516 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 704 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL134 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| DB00575 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 10382537 | 202456 | 11 | None | -4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL70676 | 202456 | 11 | None | -4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 2803 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 939 | 53 | None | -7 | 11 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 44371744 | 50035 | 0 | None | 8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL157206 | 50035 | 0 | None | 8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 135399666 | 168187 | 4 | None | -251 | 7 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL437314 | 168187 | 4 | None | -251 | 7 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 2803 | 939 | 53 | None | -7 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| 516 | 939 | 53 | None | -7 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| 704 | 939 | 53 | None | -7 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| CHEMBL134 | 939 | 53 | None | -7 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| DB00575 | 939 | 53 | None | -7 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| 44352207 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL128168 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 44352207 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL128168 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44352207 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL128168 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 44352207 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL128168 | 18653 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11360447 | 84563 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223829 | 84563 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 49836305 | 18374 | 0 | None | 9 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276248 | 18374 | 0 | None | 9 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10176999 | 103066 | 14 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
| CHEMBL308570 | 103066 | 14 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
| 11211035 | 84565 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223836 | 84565 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11211035 | 84565 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL223836 | 84565 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 9971924 | 183634 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL48341 | 183634 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 45487089 | 195953 | 0 | None | 79 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL570863 | 195953 | 0 | None | 79 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 57393922 | 70827 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 232 | 5 | 1 | 4 | 2.0 | C=COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956198 | 70827 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 232 | 5 | 1 | 4 | 2.0 | C=COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 10923927 | 202468 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| CHEMBL70740 | 202468 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| 770500 | 121189 | 3 | None | - | 1 | Human | 3.2 | pEC50 | = | 3.2 | Functional | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588909 | 121189 | 3 | None | - | 1 | Human | 3.2 | pEC50 | = | 3.2 | Functional | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 11034737 | 202813 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 202813 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 16757182 | 152705 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL397753 | 152705 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 16757182 | 152705 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL397753 | 152705 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 294234 | 102407 | 3 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL305928 | 102407 | 3 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| 24906200 | 192543 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| CHEMBL523048 | 192543 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| 57395732 | 70832 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956203 | 70832 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 1960 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| 439260 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| 505 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| CHEMBL1437 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| DB00368 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| 1960 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| 439260 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| 505 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| CHEMBL1437 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| DB00368 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| 57395663 | 70822 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956193 | 70822 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 1960 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| 439260 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| 505 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| CHEMBL1437 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| DB00368 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| 24906201 | 186760 | 0 | None | 15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| CHEMBL493272 | 186760 | 0 | None | 15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| 9947861 | 202452 | 0 | None | -281 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70634 | 202452 | 0 | None | -281 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 1960 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| 439260 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| 505 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| CHEMBL1437 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| DB00368 | 2805 | 64 | None | -134 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| 2435 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 395 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 520 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 5386 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| CHEMBL844 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| DB00484 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 10934575 | 202771 | 0 | None | -81 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 202771 | 0 | None | -81 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11173544 | 165697 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL426900 | 165697 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 15675860 | 202714 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72147 | 202714 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| 44312036 | 202849 | 0 | None | 19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72995 | 202849 | 0 | None | 19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
| 2435 | 713 | 98 | None | -1 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 395 | 713 | 98 | None | -1 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 520 | 713 | 98 | None | -1 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 5386 | 713 | 98 | None | -1 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL844 | 713 | 98 | None | -1 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| DB00484 | 713 | 98 | None | -1 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 11371902 | 141094 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL385310 | 141094 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11140033 | 20468 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL130884 | 20468 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11371902 | 141094 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL385310 | 141094 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 57402717 | 70828 | 2 | None | 10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956199 | 70828 | 2 | None | 10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 156735109 | 186013 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4878875 | 186013 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735161 | 185776 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 3.5 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4875484 | 185776 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 3.5 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 164617361 | 184242 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 3.8 | COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4852159 | 184242 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 3.8 | COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735115 | 185833 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 527 | 8 | 1 | 7 | 3.9 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4876214 | 185833 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 527 | 8 | 1 | 7 | 3.9 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735204 | 185318 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 483 | 5 | 1 | 6 | 4.1 | Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4868807 | 185318 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 483 | 5 | 1 | 6 | 4.1 | Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735188 | 185166 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4866383 | 185166 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 136 | 3228 | 28 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | 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 | 10.1021/jm401895u | ||
| 223 | 3228 | 28 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | 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 | 10.1021/jm401895u | ||
| 643606 | 3228 | 28 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | 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 | 10.1021/jm401895u | ||
| CHEMBL10347 | 3228 | 28 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | 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 | 10.1021/jm401895u | ||
| 11306100 | 167931 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL435352 | 167931 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11271808 | 60654 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL176261 | 60654 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 135519400 | 63548 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL180470 | 63548 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 135440165 | 78520 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112985 | 78520 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 11214030 | 60205 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL175853 | 60205 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 44387789 | 60236 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL176002 | 60236 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11259744 | 60457 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL176116 | 60457 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11785961 | 62935 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL179237 | 62935 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 44324800 | 205210 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL91157 | 205210 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 11785068 | 60217 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL175911 | 60217 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 11260018 | 63513 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL180322 | 63513 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11190988 | 131268 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL369378 | 131268 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 11318438 | 165420 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL425324 | 165420 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 44324972 | 162808 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL419316 | 162808 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 11191321 | 62641 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL178588 | 62641 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 135405894 | 78505 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112969 | 78505 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44579272 | 186502 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL491420 | 186502 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71450907 | 78514 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112978 | 78514 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 44579187 | 189077 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL515331 | 189077 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
| 25110718 | 192696 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL524153 | 192696 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44387798 | 165709 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL426959 | 165709 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 71456239 | 78515 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112979 | 78515 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 136044137 | 78512 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112976 | 78512 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 135499867 | 78516 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112981 | 78516 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 11224953 | 78509 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112973 | 78509 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 10758200 | 63072 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL179648 | 63072 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44579184 | 190349 | 4 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL518592 | 190349 | 4 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 135519421 | 78510 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 456 | 6 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112974 | 78510 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 456 | 6 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44579185 | 181222 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL477816 | 181222 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44324737 | 205498 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL92860 | 205498 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 135477797 | 78507 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112971 | 78507 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44579230 | 180952 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL476569 | 180952 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71456240 | 78517 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112982 | 78517 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 44579228 | 181062 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL477608 | 181062 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71456238 | 78513 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112977 | 78513 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11200476 | 78506 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112970 | 78506 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 44579229 | 189014 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL514837 | 189014 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 135545454 | 78518 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112983 | 78518 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44324765 | 111067 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL328114 | 111067 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 71461647 | 78508 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112972 | 78508 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| 44579271 | 186501 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL491419 | 186501 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 10073773 | 160564 | 13 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
| CHEMBL4082473 | 160564 | 13 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
| CHEMBL4117187 | 160564 | 13 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
| 44324765 | 111067 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL328114 | 111067 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 136274357 | 78519 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112984 | 78519 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| 11385652 | 78511 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112975 | 78511 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 1343 | 1850 | 55 | None | -15 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 3519 | 1850 | 55 | None | -15 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 522 | 1850 | 55 | None | -15 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| CHEMBL862 | 1850 | 55 | None | -15 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| DB01018 | 1850 | 55 | None | -15 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 2683 | 3762 | 57 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 5487 | 3762 | 57 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 7308 | 3762 | 57 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| CHEMBL1079 | 3762 | 57 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| DB00697 | 3762 | 57 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 2803 | 939 | 53 | None | -7 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 939 | 53 | None | -7 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 939 | 53 | None | -7 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 939 | 53 | None | -7 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 939 | 53 | None | -7 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 2435 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 395 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 520 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 5386 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| CHEMBL844 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| DB00484 | 713 | 98 | None | -1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 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 | ||
| 2337 | 3193 | 72 | None | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1225 | 1438 | 24 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1438 | 24 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1438 | 24 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1438 | 24 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1438 | 24 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3952 | 1849 | 33 | None | -26 | 14 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5353646 | 1849 | 33 | None | -26 | 14 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5443 | 1849 | 33 | None | -26 | 14 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5702063 | 1849 | 33 | None | -26 | 14 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| CHEMBL1331786 | 1849 | 33 | None | -26 | 14 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| CHEMBL420 | 1849 | 33 | None | -26 | 14 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 1816 | 2494 | 99 | None | -3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| 4205 | 2494 | 99 | None | -3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| 7241 | 2494 | 99 | None | -3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| CHEMBL654 | 2494 | 99 | None | -3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| DB00370 | 2494 | 99 | None | -3 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| 3930 | 2111 | 36 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
| 3930 | 2111 | 36 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
| 540335 | 2111 | 36 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
| 540335 | 2111 | 36 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
| CHEMBL106525 | 2111 | 36 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
| CHEMBL106525 | 2111 | 36 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
| 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 |
| 57345628 | 70824 | 0 | None | -26 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1956195 | 70824 | 0 | None | -26 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 70695474 | 77304 | 0 | None | -47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2089156 | 77304 | 0 | None | -47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 57345626 | 70821 | 2 | None | -12 | 4 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1956192 | 70821 | 2 | None | -12 | 4 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
| 72947315 | 92043 | 0 | None | -10 | 4 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
| CHEMBL2431280 | 92043 | 0 | None | -10 | 4 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
| 134137108 | 142183 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 2.1 | CCCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| CHEMBL3892351 | 142183 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 2.1 | CCCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| 49836304 | 18369 | 1 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276219 | 18369 | 1 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 44352155 | 116295 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1021/acsmedchemlett.6b00290 | ||
| CHEMBL337862 | 116295 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1021/acsmedchemlett.6b00290 | ||
| 44269013 | 30113 | 1 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL13917 | 30113 | 1 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| 134156190 | 150821 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 215 | 5 | 2 | 3 | 1.8 | C=CCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| CHEMBL3961335 | 150821 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 215 | 5 | 2 | 3 | 1.8 | C=CCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| 49836302 | 18364 | 1 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276139 | 18364 | 1 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| 129928082 | 143650 | 1 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| CHEMBL3904276 | 143650 | 1 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| 13123534 | 188853 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| CHEMBL51358 | 188853 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | ||
| 72947314 | 92044 | 0 | None | -8 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
| CHEMBL2431281 | 92044 | 0 | None | -8 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
| 49836301 | 18365 | 1 | None | -1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276140 | 18365 | 1 | None | -1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| 73291731 | 92045 | 0 | None | -10 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2431282 | 92045 | 0 | None | -10 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| 70693375 | 77303 | 0 | None | -5 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2089155 | 77303 | 0 | None | -5 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 49836303 | 18370 | 1 | None | -10 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276220 | 18370 | 1 | None | -10 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 44549156 | 18368 | 0 | None | -10 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276218 | 18368 | 0 | None | -10 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 2765 | 928 | 16 | None | -15 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| 515 | 928 | 16 | None | -15 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| CHEMBL13852 | 928 | 16 | None | -15 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| DB09202 | 928 | 16 | None | -15 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| 57345629 | 70826 | 0 | None | -45 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1956197 | 70826 | 0 | None | -45 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 24906198 | 187071 | 3 | None | -3 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL495095 | 187071 | 3 | None | -3 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| 44269006 | 32122 | 1 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL14107 | 32122 | 1 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| 28918670 | 92041 | 2 | None | -4 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2431279 | 92041 | 2 | None | -4 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| 44376984 | 55915 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162682 | 55915 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44377200 | 57104 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165350 | 57104 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 22120332 | 55739 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162490 | 55739 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
| 44377036 | 119638 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL351483 | 119638 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44376954 | 55436 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162232 | 55436 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44376923 | 56118 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL163190 | 56118 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44376958 | 57162 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165796 | 57162 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| 22120322 | 55616 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162370 | 55616 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44377035 | 119612 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL351200 | 119612 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44376993 | 56175 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL163247 | 56175 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44376900 | 55960 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162826 | 55960 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 3045401 | 55752 | 28 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162501 | 55752 | 28 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 10531 | 1387 | 18 | None | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | -9 | 24 | Human | 8.0 | pIC50 | = | 8 | 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 | ||
| 3151 | 1429 | 93 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 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 | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 3158 | 55959 | 21 | None | -1047 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55959 | 21 | None | -1047 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 16220269 | 189058 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| CHEMBL515170 | 189058 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 25014630 | 83112 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| CHEMBL2203713 | 83112 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| 3952 | 1849 | 33 | None | -13 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 1849 | 33 | None | -13 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 1849 | 33 | None | -13 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 1849 | 33 | None | -13 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 1849 | 33 | None | -13 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 1849 | 33 | None | -13 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 44318454 | 204280 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL84931 | 204280 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 5472 | 204094 | 69 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
| CHEMBL1717 | 204094 | 69 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
| CHEMBL833 | 204094 | 69 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
| 1043 | 1545 | 13 | None | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | -19 | 29 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 277 | 1269 | 55 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1269 | 55 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1269 | 55 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1269 | 55 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1269 | 55 | None | -42 | 46 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL5070958 | 212468 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
| 9951544 | 57063 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165181 | 57063 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 123132228 | 155753 | 46 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | ||
| CHEMBL4065484 | 155753 | 46 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | ||
| 10331436 | 321 | 7 | None | - | 7 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
| 160 | 321 | 7 | None | - | 7 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
| CHEMBL133455 | 321 | 7 | None | - | 7 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | ||
| 2105 | 2993 | 34 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 2801 | 161313 | 56 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161313 | 56 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161313 | 56 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 15730 | 70759 | 73 | None | 1 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 70759 | 73 | None | 1 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 1548953 | 205935 | 24 | None | 1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205935 | 24 | None | 1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 2683 | 102402 | 24 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102402 | 24 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102402 | 24 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 448537 | 159691 | 86 | None | -21 | 25 | Human | 4.8 | pIC50 | = | 4.8 | 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 | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 1212 | 1624 | 45 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1624 | 45 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1624 | 45 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1624 | 45 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1624 | 45 | None | -54 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 138753276 | 176593 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 4 | 2 | 3 | 2.8 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 | 10.1021/acs.jmedchem.9b01870 | ||
| CHEMBL4634827 | 176593 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 4 | 2 | 3 | 2.8 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 | 10.1021/acs.jmedchem.9b01870 | ||
| 196129 | 67441 | 12 | None | -295 | 15 | Human | 5.8 | pIC50 | = | 5.8 | 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 | -295 | 15 | Human | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 8447 | 188352 | 80 | None | -3 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| CHEMBL508112 | 188352 | 80 | None | -3 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| 73453 | 29388 | 22 | None | -3 | 17 | Human | 7.8 | pIC50 | = | 7.8 | 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 | -3 | 17 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 100 | 3733 | 52 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3733 | 52 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3733 | 52 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3733 | 52 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3733 | 52 | None | -27 | 56 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 3168 | 9157 | 84 | None | -63 | 22 | Human | 5.8 | pIC50 | = | 5.8 | 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 | -63 | 22 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 135 | 2486 | 38 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2486 | 38 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2486 | 38 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2486 | 38 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2486 | 38 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 138753277 | 176711 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | ||
| CHEMBL4636550 | 176711 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | ||
| 2162 | 41258 | 97 | None | -1 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
| CHEMBL1491 | 41258 | 97 | None | -1 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
| 10219 | 188200 | 30 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL493439 | 188200 | 30 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL50588 | 188200 | 30 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| 1353 | 1872 | 85 | None | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | ||
| 9904205 | 204125 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL83658 | 204125 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 11057 | 175565 | 19 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175565 | 19 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175565 | 19 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175565 | 19 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 133 | 2450 | 48 | None | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -26 | 43 | Human | 6.7 | pIC50 | = | 6.7 | 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 | ||
| 213 | 3780 | 50 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 3780 | 50 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 3780 | 50 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 3780 | 50 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 3780 | 50 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2247 | 502 | 77 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2335 | 11728 | 21 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11728 | 21 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11728 | 21 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11728 | 21 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 1816 | 2494 | 99 | None | -28 | 17 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| 4205 | 2494 | 99 | None | -28 | 17 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| 7241 | 2494 | 99 | None | -28 | 17 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL654 | 2494 | 99 | None | -28 | 17 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| DB00370 | 2494 | 99 | None | -28 | 17 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44377007 | 56838 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL164612 | 56838 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 44376975 | 55680 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162436 | 55680 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL5082142 | 213005 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCN1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
| 4543 | 169972 | 36 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169972 | 36 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169972 | 36 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 45482789 | 197237 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 6.7 | pIC50 | = | 6.7 | 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 | ||
| CHEMBL5081505 | 212967 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
| 12488 | 1619 | 51 | None | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | 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 | ||
| 57345320 | 3760 | 6 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| 9882 | 3760 | 6 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| CHEMBL3091687 | 3760 | 6 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| 28417 | 39784 | 48 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| CHEMBL1479 | 39784 | 48 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 2286 | 3122 | 48 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3122 | 48 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3122 | 48 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3122 | 48 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3122 | 48 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 1028 | 287 | 69 | None | -52 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 287 | 69 | None | -52 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 287 | 69 | None | -52 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 287 | 69 | None | -52 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 287 | 69 | None | -52 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 287 | 69 | None | -52 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 222757 | 98904 | 70 | None | 1 | 3 | Human | 4.6 | pIC50 | = | 4.6 | 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 | 4.6 | pIC50 | = | 4.6 | 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 | ||
| 2284 | 3121 | 27 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3121 | 27 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3121 | 27 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3121 | 27 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3121 | 27 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 10.1021/jm900458r | ||
| 44377006 | 57146 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165677 | 57146 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 3191 | 102372 | 93 | None | -3 | 25 | Human | 6.6 | pIC50 | = | 6.6 | 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 | -3 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 2353 | 100630 | 75 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL12089 | 100630 | 75 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL295124 | 100630 | 75 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| 44376927 | 55333 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162147 | 55333 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL5076569 | 212668 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
| 4011 | 81982 | 43 | None | -28 | 24 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81982 | 43 | None | -28 | 24 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 6918276 | 15420 | 4 | None | -47 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL1221512 | 15420 | 4 | None | -47 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| 60838 | 183282 | 95 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| CHEMBL481 | 183282 | 95 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| 191 | 399 | 92 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 657255 | 197396 | 29 | None | -8 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -8 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -2 | 50 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 2726 | 904 | 64 | None | -26 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 904 | 64 | None | -26 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 904 | 64 | None | -26 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 904 | 64 | None | -26 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 904 | 64 | None | -26 | 73 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 2600 | 3708 | 73 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 134551 | 355 | 25 | None | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 237 | 203147 | 43 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203147 | 43 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203147 | 43 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203147 | 43 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 121432827 | 191638 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 344 | 4 | 1 | 7 | 2.7 | c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1 | 10.1021/acs.jmedchem.1c02148 | ||
| CHEMBL5205327 | 191638 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 344 | 4 | 1 | 7 | 2.7 | c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1 | 10.1021/acs.jmedchem.1c02148 | ||
| CHEMBL1200633 | 206848 | 3 | None | -1 | 8 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
| 1201549 | 590 | 22 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | 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 | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 1588 | 2284 | 24 | None | -4 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -4 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -4 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -4 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | -4 | 44 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
| 3561 | 18871 | 34 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| CHEMBL1289 | 18871 | 34 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| 5353853 | 17788 | 41 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 17788 | 41 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 17788 | 41 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 441383 | 20118 | 54 | None | 2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20118 | 54 | None | 2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 135 | 2486 | 38 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| 1796 | 2486 | 38 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| 4184 | 2486 | 38 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL6437 | 2486 | 38 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| DB06148 | 2486 | 38 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| 2337 | 3193 | 72 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3193 | 72 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3193 | 72 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3193 | 72 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3193 | 72 | None | -10 | 63 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 2406 | 99925 | 84 | None | -11 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL290106 | 99925 | 84 | None | -11 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| 68617 | 203806 | 60 | None | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 6761 | 67442 | 17 | None | -3 | 18 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 67442 | 17 | None | -3 | 18 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 5318 | 15385 | 44 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15385 | 44 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15385 | 44 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL508338 | 188369 | 0 | None | -25 | 6 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 31101 | 719 | 39 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 1836 | 2544 | 56 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | ||
| 12575 | 1949 | 28 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| 54459 | 1949 | 28 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL10316 | 1949 | 28 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| 135398745 | 2858 | 108 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2858 | 108 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2858 | 108 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2858 | 108 | None | -30 | 66 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 11080 | 28857 | 74 | None | -3 | 6 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| CHEMBL1381098 | 28857 | 74 | None | -3 | 6 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| 44376845 | 55242 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162058 | 55242 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
| 180 | 397 | 50 | None | -16 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -16 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -16 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -16 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -16 | 39 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 44376936 | 57157 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165776 | 57157 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 1343 | 1850 | 55 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 1850 | 55 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 1850 | 55 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 1850 | 55 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 1850 | 55 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 1547484 | 925 | 70 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 925 | 70 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 925 | 70 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 925 | 70 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 925 | 70 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 3598 | 187228 | 73 | None | -1 | 7 | Human | 5.2 | pIC50 | = | 5.2 | 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 | -1 | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| 135398737 | 942 | 89 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -3 | 92 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 42574 | 15102 | 87 | None | -18 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
| CHEMBL12131 | 15102 | 87 | None | -18 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
| 2351 | 3222 | 60 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 3222 | 60 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 3222 | 60 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 3222 | 60 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 3222 | 60 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 42636941 | 178361 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| 240 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 2769 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 44279790 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 660 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL1729 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL560739 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| DB00604 | 929 | 39 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 104903 | 56035 | 14 | None | -1 | 6 | Human | 5.1 | pIC50 | = | 5.1 | 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 | -1 | 6 | Human | 5.1 | pIC50 | = | 5.1 | 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 | ||
| 107715 | 199250 | 18 | None | -7 | 20 | Human | 8.1 | pIC50 | = | 8.1 | 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 | -7 | 20 | Human | 8.1 | pIC50 | = | 8.1 | 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 | -7 | 20 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 2274 | 3112 | 53 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3112 | 53 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3112 | 53 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3112 | 53 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3112 | 53 | None | -4 | 32 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL5077132 | 212703 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCOCC1 | 10.1021/acs.jmedchem.1c01564 | ||||
| 10381889 | 106573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL315772 | 106573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 132256889 | 189843 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | ||
| CHEMBL5178464 | 189843 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | ||
| CHEMBL5083458 | 213081 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCNC1COC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | ||||
| 2389 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 2585 | 788 | 100 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 788 | 100 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 788 | 100 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 788 | 100 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 788 | 100 | None | -16 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 26987 | 934 | 29 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 934 | 29 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 934 | 29 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 934 | 29 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 934 | 29 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 136019934 | 143985 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL390718 | 143985 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
| 44324800 | 205210 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL91157 | 205210 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324800 | 205210 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL91157 | 205210 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 49781228 | 17008 | 1 | None | -3 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
| CHEMBL1256414 | 17008 | 1 | None | -3 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
| 52944548 | 16956 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1255723 | 16956 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 49781228 | 17008 | 1 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
| CHEMBL1256414 | 17008 | 1 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
| 44330168 | 4239 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL100879 | 4239 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330668 | 4355 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL101596 | 4355 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330617 | 96159 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL263424 | 96159 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 11225779 | 107233 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL319119 | 107233 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44324972 | 162808 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL419316 | 162808 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44324800 | 205210 | 0 | None | 5 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL91157 | 205210 | 0 | None | 5 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330653 | 206481 | 0 | None | 8 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL98646 | 206481 | 0 | None | 8 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44324972 | 162808 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL419316 | 162808 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44325050 | 205540 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL93171 | 205540 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324972 | 162808 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL419316 | 162808 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 49781228 | 17008 | 1 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
| CHEMBL1256414 | 17008 | 1 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | ||
| 16655023 | 106942 | 1 | None | 5 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL318235 | 106942 | 1 | None | 5 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 52941512 | 17001 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256378 | 17001 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 44330369 | 111080 | 0 | None | 4 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL328195 | 111080 | 0 | None | 4 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 10480357 | 206467 | 0 | None | 9 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL98541 | 206467 | 0 | None | 9 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330114 | 107583 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL319530 | 107583 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330635 | 206674 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL99868 | 206674 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | ||
| 52948958 | 16957 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1255724 | 16957 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 44579228 | 181062 | 0 | None | 13 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL477608 | 181062 | 0 | None | 13 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1016/j.ejmech.2014.12.045 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.3 | pKi | = | 9.3 | 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 | 10.1021/jm401895u | ||
| 44330645 | 206682 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL99916 | 206682 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44324765 | 111067 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL328114 | 111067 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324765 | 111067 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL328114 | 111067 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 49781222 | 17054 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256609 | 17054 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 44579230 | 180952 | 0 | None | 8 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL476569 | 180952 | 0 | None | 8 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44330368 | 111687 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL329065 | 111687 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44325049 | 111022 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL327875 | 111022 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 1588 | 2284 | 24 | None | -4 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -4 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -4 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -4 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | -4 | 44 | Human | 9.2 | pKi | = | 9.2 | 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 | ||
| 11203101 | 71324 | 0 | None | 44 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL196451 | 71324 | 0 | None | 44 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
| 16655023 | 106942 | 1 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL318235 | 106942 | 1 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 16655023 | 106942 | 1 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL318235 | 106942 | 1 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330427 | 162811 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL419336 | 162811 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330598 | 205894 | 0 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL95218 | 205894 | 0 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 108094 | 3356 | 22 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
| 526 | 3356 | 22 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
| 528 | 3356 | 22 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL10332 | 3356 | 22 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | ||
| 499 | 4002 | 15 | None | -4 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 5685 | 4002 | 15 | None | -4 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| CHEMBL25554 | 4002 | 15 | None | -4 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 44579229 | 189014 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL514837 | 189014 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44579187 | 189077 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL515331 | 189077 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44438167 | 148426 | 0 | None | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL394218 | 148426 | 0 | None | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1021/acs.jmedchem.9b01465 | ||
| 10028898 | 111151 | 0 | None | 11 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL328631 | 111151 | 0 | None | 11 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44324737 | 205498 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL92860 | 205498 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324737 | 205498 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL92860 | 205498 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.1 | pKi | = | 9.1 | 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 | 10.1016/j.bmcl.2005.03.116 | ||
| 25110718 | 192696 | 0 | None | 16 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL524153 | 192696 | 0 | None | 16 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44330857 | 4313 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL101361 | 4313 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 136019934 | 143985 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL390718 | 143985 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| 136 | 3228 | 28 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
| 223 | 3228 | 28 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
| 643606 | 3228 | 28 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
| CHEMBL10347 | 3228 | 28 | None | 3 | 16 | Human | 9.0 | pKi | = | 9 | 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 | 10.1021/jm00019a001 | ||
| 44402346 | 132205 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 3.9 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL369938 | 132205 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 3.9 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | ||
| 135398737 | 942 | 89 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -3 | 92 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 52950140 | 16962 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1255770 | 16962 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 107715 | 199250 | 18 | None | -7 | 20 | Human | 8.9 | pKi | = | 8.9 | 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 | -7 | 20 | Human | 8.9 | pKi | = | 8.9 | 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 | -7 | 20 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
| 49781223 | 17055 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256610 | 17055 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 2389 | 3267 | 114 | None | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3267 | 114 | None | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3267 | 114 | None | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3267 | 114 | None | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3267 | 114 | None | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 10824121 | 119962 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
| CHEMBL1203852 | 119962 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
| CHEMBL354272 | 119962 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | ||
| 44324800 | 205210 | 0 | None | 5 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL91157 | 205210 | 0 | None | 5 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 49781224 | 16947 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1255616 | 16947 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 10531 | 1387 | 18 | None | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | -9 | 24 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
| 49781007 | 17044 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256566 | 17044 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 44324937 | 205176 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL90943 | 205176 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
| 1043 | 1545 | 13 | None | -19 | 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 | -19 | 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 | -19 | 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 | -19 | 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 | -19 | 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 | ||
| 44579272 | 186502 | 0 | None | 5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL491420 | 186502 | 0 | None | 5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 8.7 | pKi | = | 8.7 | 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 | 10.1016/j.bmcl.2006.12.094 | ||
| 56944383 | 111614 | 0 | None | -3 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | ||
| CHEMBL3290012 | 111614 | 0 | None | -3 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | ||
| 44324906 | 205050 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL90247 | 205050 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324725 | 205080 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL90419 | 205080 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 49781005 | 17017 | 0 | None | -3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256503 | 17017 | 0 | None | -3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 2389 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 5073 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 96 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| CHEMBL85 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| DB00734 | 3267 | 114 | None | -12 | 68 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 16655023 | 106942 | 1 | None | 5 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL318235 | 106942 | 1 | None | 5 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 44330621 | 4321 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL101411 | 4321 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44324972 | 162808 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL419316 | 162808 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 49781006 | 17043 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256565 | 17043 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 441082 | 1136 | 40 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
| 8981 | 1136 | 40 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
| CHEMBL191703 | 1136 | 40 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
| 441082 | 1136 | 40 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
| 8981 | 1136 | 40 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
| CHEMBL191703 | 1136 | 40 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | ||
| 10707358 | 178695 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL47313 | 178695 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 242 | 467 | 117 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| 34 | 467 | 117 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| 60795 | 467 | 117 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| CHEMBL1112 | 467 | 117 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| DB01238 | 467 | 117 | None | -23 | 52 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| 135398737 | 942 | 89 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 38 | 942 | 89 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 722 | 942 | 89 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL42 | 942 | 89 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB00363 | 942 | 89 | None | -3 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 135398745 | 2858 | 108 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 2858 | 108 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 2858 | 108 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 2858 | 108 | None | -30 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 2337 | 3193 | 72 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 50 | 3193 | 72 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 5002 | 3193 | 72 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL716 | 3193 | 72 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB01224 | 3193 | 72 | None | -10 | 63 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 16090600 | 168604 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL440594 | 168604 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 9982218 | 101281 | 4 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL1435188 | 101281 | 4 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL299879 | 101281 | 4 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 16090600 | 168604 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL440594 | 168604 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | ||
| 10793665 | 106456 | 0 | None | -562 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
| CHEMBL314960 | 106456 | 0 | None | -562 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
| 42574 | 15102 | 87 | None | -18 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
| CHEMBL12131 | 15102 | 87 | None | -18 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | ||
| 153287553 | 170528 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4457754 | 170528 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 2719 | 902 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 5535 | 902 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 607 | 902 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| CHEMBL76 | 902 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| DB00608 | 902 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 9817231 | 157679 | 17 | None | -1 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL4088272 | 157679 | 17 | None | -1 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
| 3598 | 187228 | 73 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | 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 | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
| 11801828 | 204808 | 0 | None | -63 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| CHEMBL88628 | 204808 | 0 | None | -63 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| 132584404 | 142805 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | ||
| CHEMBL3897499 | 142805 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | ||
| 11333552 | 121188 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1ccccc1OCC1CNCCO1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588908 | 121188 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1ccccc1OCC1CNCCO1 | 10.1016/j.bmc.2015.01.013 | ||
| 2351 | 3222 | 60 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 3222 | 60 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 3222 | 60 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 3222 | 60 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 3222 | 60 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 122180567 | 121184 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588904 | 121184 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| 11948707 | 165603 | 0 | None | -269 | 13 | Human | 7.0 | pKi | = | 7.0 | 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 | -269 | 13 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 16090635 | 82089 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217768 | 82089 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1016/j.ejmech.2010.12.026 | ||
| 44289035 | 100035 | 0 | None | -575 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL291166 | 100035 | 0 | None | -575 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 127036186 | 136876 | 0 | None | -34 | 19 | Human | 6.0 | pKi | = | 6.0 | 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 | -34 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 44210114 | 192104 | 14 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1 | 10.1016/j.bmcl.2021.128275 | ||
| CHEMBL5219924 | 192104 | 14 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1 | 10.1016/j.bmcl.2021.128275 | ||
| 11293787 | 147669 | 0 | None | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL393597 | 147669 | 0 | None | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 1393724 | 121376 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 222 | 3 | 1 | 2 | 2.7 | N#Cc1cccc(-c2ccccc2CCN)c1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3590203 | 121376 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 222 | 3 | 1 | 2 | 2.7 | N#Cc1cccc(-c2ccccc2CCN)c1 | 10.1016/j.bmc.2015.01.013 | ||
| 16090635 | 82089 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | ||
| CHEMBL217768 | 82089 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | ||
| 46869265 | 16066 | 0 | None | -5 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
| CHEMBL1224527 | 16066 | 0 | None | -5 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
| 10489502 | 4436 | 2 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
| CHEMBL1022 | 4436 | 2 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
| 49836307 | 18583 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1278085 | 18583 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 240 | 929 | 39 | None | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 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 | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 11140347 | 202818 | 0 | None | -18 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 202818 | 0 | None | -18 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 71455894 | 83374 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205827 | 83374 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 71455894 | 83374 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205827 | 83374 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 104903 | 56035 | 14 | None | -1 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | -1 | 6 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
| 10841190 | 106546 | 0 | None | -162 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
| CHEMBL315538 | 106546 | 0 | None | -162 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
| 44311789 | 203018 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL74342 | 203018 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 10220337 | 198757 | 47 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 2 | 0 | 2 | 2.7 | Brc1cccc(Cn2ccnc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL598391 | 198757 | 47 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 2 | 0 | 2 | 2.7 | Brc1cccc(Cn2ccnc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| 2274 | 3112 | 53 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3112 | 53 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3112 | 53 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3112 | 53 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3112 | 53 | None | -4 | 32 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 218362 | 203082 | 5 | None | -5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL75030 | 203082 | 5 | None | -5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 68712 | 99861 | 57 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
| CHEMBL289480 | 99861 | 57 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | ||
| 9883506 | 70205 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL194849 | 70205 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
| 9816048 | 186685 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | ||
| CHEMBL49284 | 186685 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | ||
| 118717249 | 114614 | 0 | None | -18 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
| CHEMBL3343700 | 114614 | 0 | None | -18 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | ||
| 50985821 | 175634 | 25 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | ||
| CHEMBL4594433 | 175634 | 25 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | ||
| 44292232 | 100838 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL296660 | 100838 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 9971924 | 183634 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL48341 | 183634 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 11221758 | 84180 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222138 | 84180 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | ||
| 49836304 | 18369 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276219 | 18369 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 49836304 | 18369 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276219 | 18369 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836305 | 18374 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276248 | 18374 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 56852956 | 111538 | 1 | None | -32 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289656 | 111538 | 1 | None | -32 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 24906203 | 186625 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| CHEMBL492445 | 186625 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| 11380132 | 83984 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL221989 | 83984 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 56852956 | 111538 | 1 | None | -32 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289656 | 111538 | 1 | None | -32 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 44371744 | 50035 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL157206 | 50035 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 2585 | 788 | 100 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 788 | 100 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 788 | 100 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 788 | 100 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 788 | 100 | None | -16 | 22 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 44325044 | 205641 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL93801 | 205641 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 213041 | 16937 | 24 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | ||
| CHEMBL1255582 | 16937 | 24 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | ||
| CHEMBL4535474 | 212225 | 34 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 489 | 145 | 22 | None | -380 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 5640 | 145 | 22 | None | -380 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| CHEMBL420060 | 145 | 22 | None | -380 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 11371902 | 141094 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL385310 | 141094 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11371902 | 141094 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL385310 | 141094 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11741010 | 82824 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| CHEMBL218730 | 82824 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| 11741010 | 82824 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL218730 | 82824 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| 135356876 | 173492 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4544251 | 173492 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 9809007 | 171986 | 6 | None | -724 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| CHEMBL448620 | 171986 | 6 | None | -724 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| 16090598 | 82029 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217568 | 82029 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 16090598 | 82029 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL217568 | 82029 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 71450548 | 83372 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205824 | 83372 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| 42656257 | 121192 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 2.6 | COc1ccc(C2NCCCn3cccc32)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588912 | 121192 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 2.6 | COc1ccc(C2NCCCn3cccc32)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| 26987 | 934 | 29 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 934 | 29 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 934 | 29 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 934 | 29 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 934 | 29 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 10198248 | 186856 | 35 | None | -6 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL49395 | 186856 | 35 | None | -6 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| 13091268 | 77830 | 0 | None | -158 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| CHEMBL210578 | 77830 | 0 | None | -158 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| 44582678 | 180982 | 0 | None | -79 | 11 | Human | 6.8 | pKi | = | 6.8 | 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 | -79 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 11108001 | 10756 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 10756 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 10756 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11380133 | 168790 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL442045 | 168790 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 3151 | 1429 | 93 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 1429 | 93 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 1429 | 93 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 1429 | 93 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 1429 | 93 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 73291731 | 92045 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2431282 | 92045 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| 45487955 | 196623 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL576078 | 196623 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 9827677 | 167847 | 0 | None | -7413 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43491 | 167847 | 0 | None | -7413 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 50878551 | 90300 | 60 | None | -22 | 18 | Human | 5.8 | pKi | = | 5.8 | 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 | -22 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 44455426 | 154598 | 0 | None | -16 | 13 | Human | 6.8 | pKi | = | 6.8 | 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 | -16 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 144852560 | 170359 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| CHEMBL4455344 | 170359 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| 71463063 | 83373 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205825 | 83373 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 21830793 | 91389 | 5 | None | -100 | 46 | Human | 7.8 | pKi | = | 7.8 | 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 | -100 | 46 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| 10044968 | 96085 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL262901 | 96085 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| 10044968 | 96085 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| CHEMBL262901 | 96085 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| 44579231 | 180975 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL476774 | 180975 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 3158 | 55959 | 21 | None | -1047 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55959 | 21 | None | -1047 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 10609673 | 103287 | 0 | None | -11 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | ||
| CHEMBL308863 | 103287 | 0 | None | -11 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | ||
| 118734875 | 118219 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
| CHEMBL3417585 | 118219 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
| 73352414 | 92086 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432038 | 92086 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| 737253 | 117985 | 129 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccc(N)cc2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL341473 | 117985 | 129 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccc(N)cc2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
| 32238 | 22439 | 108 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL1327 | 22439 | 108 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
| 44582705 | 186403 | 0 | None | -33 | 14 | Human | 6.8 | pKi | = | 6.8 | 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 | -33 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 71463022 | 83270 | 4 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
| CHEMBL2205362 | 83270 | 4 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
| 770500 | 121189 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588909 | 121189 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 4306793 | 121190 | 1 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 282 | 3 | 1 | 3 | 2.6 | O=C(CCC1CCCC1)N1CCSC12CCNCC2 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588910 | 121190 | 1 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 282 | 3 | 1 | 3 | 2.6 | O=C(CCC1CCCC1)N1CCSC12CCNCC2 | 10.1016/j.bmc.2015.01.013 | ||
| 10651654 | 110982 | 0 | None | -85 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
| CHEMBL327712 | 110982 | 0 | None | -85 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
| 24906202 | 186624 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| CHEMBL492444 | 186624 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| 3652 | 45968 | 62 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1535 | 45968 | 62 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| 16090626 | 81709 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216727 | 81709 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 16090626 | 81709 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL216727 | 81709 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 9906978 | 42451 | 1 | None | -1 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| CHEMBL150161 | 42451 | 1 | None | -1 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| 10527469 | 155712 | 1 | None | -35 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 155712 | 1 | None | -35 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 11211035 | 84565 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL223836 | 84565 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11211035 | 84565 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223836 | 84565 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | ||
| 11393666 | 192374 | 0 | None | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | 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 | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | 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 | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
| 3952 | 1849 | 33 | None | -13 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 1849 | 33 | None | -13 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 1849 | 33 | None | -13 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 1849 | 33 | None | -13 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 1849 | 33 | None | -13 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 1849 | 33 | None | -13 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 92766 | 106047 | 30 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| CHEMBL31410 | 106047 | 30 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| 44275807 | 98500 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| CHEMBL27979 | 98500 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| 11199581 | 136023 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL373830 | 136023 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | ||
| 132060746 | 162508 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4176474 | 162508 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| 9894818 | 98455 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
| CHEMBL279436 | 98455 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
| 10859076 | 13555 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1194763 | 13555 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL553276 | 13555 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9894818 | 98455 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL279436 | 98455 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 21392988 | 203099 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL75201 | 203099 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| 11109088 | 202470 | 0 | None | -36 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 202470 | 0 | None | -36 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 4567175 | 82050 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217665 | 82050 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
| 12575 | 1949 | 28 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
| 54459 | 1949 | 28 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
| CHEMBL10316 | 1949 | 28 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | ||
| 11346584 | 136447 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL374584 | 136447 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 12575 | 1949 | 28 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
| 54459 | 1949 | 28 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
| CHEMBL10316 | 1949 | 28 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | ||
| 11346584 | 136447 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL374584 | 136447 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11346584 | 136447 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL374584 | 136447 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| 4567175 | 82050 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
| CHEMBL217665 | 82050 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
| 9960497 | 116561 | 0 | None | -512 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| CHEMBL3392246 | 116561 | 0 | None | -512 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| 71452382 | 83366 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205812 | 83366 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 5472 | 204094 | 69 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
| CHEMBL1717 | 204094 | 69 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
| CHEMBL833 | 204094 | 69 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | ||
| 9815633 | 99161 | 2 | None | -44 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
| CHEMBL284213 | 99161 | 2 | None | -44 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | ||
| 9815633 | 99161 | 2 | None | -44 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
| CHEMBL284213 | 99161 | 2 | None | -44 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | ||
| 21509921 | 103966 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103966 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 73346042 | 91388 | 3 | None | -1737 | 17 | Human | 6.8 | pKi | = | 6.8 | 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 | -1737 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| 21509921 | 103966 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103966 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 599482 | 201286 | 9 | None | -12 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | ||
| CHEMBL6310 | 201286 | 9 | None | -12 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | ||
| 49836302 | 18364 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276139 | 18364 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| 49836302 | 18364 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276139 | 18364 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836302 | 18364 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1276139 | 18364 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| 71452387 | 83375 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205829 | 83375 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
| 71452387 | 83375 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205829 | 83375 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 11225732 | 93211 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL246852 | 93211 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 1816 | 2494 | 99 | None | -28 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
| 4205 | 2494 | 99 | None | -28 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
| 7241 | 2494 | 99 | None | -28 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
| CHEMBL654 | 2494 | 99 | None | -28 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
| DB00370 | 2494 | 99 | None | -28 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | ||
| 118734876 | 118220 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
| CHEMBL3417586 | 118220 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | ||
| 181743 | 177987 | 3 | None | -91 | 22 | Human | 6.7 | pKi | = | 6.7 | 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 | -91 | 22 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| 71452384 | 83369 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205816 | 83369 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| 71452384 | 83369 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205816 | 83369 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
| 277 | 1269 | 55 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1269 | 55 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1269 | 55 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1269 | 55 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1269 | 55 | None | -42 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 71452383 | 83368 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205814 | 83368 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 12575 | 1949 | 28 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
| 54459 | 1949 | 28 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL10316 | 1949 | 28 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | ||
| 44438147 | 93043 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL246228 | 93043 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 44438152 | 93162 | 0 | None | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL246639 | 93162 | 0 | None | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | ||
| 10176999 | 103066 | 14 | None | -11 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
| CHEMBL308570 | 103066 | 14 | None | -11 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
| 44402344 | 140415 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 1 | 3 | 3 | 2.6 | O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL382310 | 140415 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 1 | 3 | 3 | 2.6 | O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| 10220053 | 205183 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL90997 | 205183 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | ||
| 10220053 | 205183 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | ||
| CHEMBL90997 | 205183 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | ||
| 10758200 | 63072 | 0 | None | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL179648 | 63072 | 0 | None | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71151588 | 117742 | 0 | None | -1905 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL3409256 | 117742 | 0 | None | -1905 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | ||
| 9895326 | 205289 | 0 | None | -177 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
| CHEMBL91550 | 205289 | 0 | None | -177 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
| 44288769 | 100666 | 0 | None | -1737 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295395 | 100666 | 0 | None | -1737 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 11301655 | 198 | 31 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | ||
| 8441 | 198 | 31 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | ||
| CHEMBL127257 | 198 | 31 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | ||
| 44209472 | 69814 | 2 | None | -107 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| CHEMBL1940420 | 69814 | 2 | None | -107 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| 3086326 | 202816 | 17 | None | -5 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72753 | 202816 | 17 | None | -5 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 49781005 | 17017 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256503 | 17017 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 10934575 | 202771 | 0 | None | -11 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 202771 | 0 | None | -11 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44352207 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL128168 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 44352207 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL128168 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 44352207 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL128168 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 44352207 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL128168 | 18653 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44288874 | 100613 | 0 | None | -1995 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295001 | 100613 | 0 | None | -1995 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 25142456 | 81980 | 2 | None | 3 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
| CHEMBL217299 | 81980 | 2 | None | 3 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
| 44330679 | 206523 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL98889 | 206523 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 9928332 | 96719 | 4 | None | -1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL268258 | 96719 | 4 | None | -1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | ||
| 9928332 | 96719 | 4 | None | -1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | ||
| CHEMBL268258 | 96719 | 4 | None | -1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | ||
| 49781887 | 16948 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
| CHEMBL1255617 | 16948 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
| 11079 | 2683 | 59 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 3369 | 2683 | 59 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 4436 | 2683 | 59 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 5509 | 2683 | 59 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL761 | 2683 | 59 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| DB06711 | 2683 | 59 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 10045713 | 165541 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL425983 | 165541 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | ||
| 44324887 | 164452 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL422597 | 164452 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 8.6 | pKi | = | 8.6 | 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 | 10.1021/jm00019a001 | ||
| 10045713 | 165541 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL425983 | 165541 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 9805944 | 55919 | 31 | None | -3 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
| CHEMBL1627 | 55919 | 31 | None | -3 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
| 73453 | 29388 | 22 | None | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | 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 | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 44579271 | 186501 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL491419 | 186501 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 49781887 | 16948 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
| CHEMBL1255617 | 16948 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
| 44402345 | 71072 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 496 | 5 | 4 | 5 | 3.5 | CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL196064 | 71072 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 496 | 5 | 4 | 5 | 3.5 | CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| 44330584 | 107620 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL319573 | 107620 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 52943739 | 16963 | 0 | None | -6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | ||
| CHEMBL1255771 | 16963 | 0 | None | -6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | ||
| 135398737 | 942 | 89 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
| 38 | 942 | 89 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
| 722 | 942 | 89 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
| CHEMBL42 | 942 | 89 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
| DB00363 | 942 | 89 | None | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | ||
| 46225029 | 197643 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 2.4 | Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1 | 10.1016/j.bmcl.2009.11.019 | ||
| CHEMBL590615 | 197643 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 2.4 | Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1 | 10.1016/j.bmcl.2009.11.019 | ||
| 16725934 | 146878 | 0 | None | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL392992 | 146878 | 0 | None | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 123981 | 16267 | 20 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
| CHEMBL123349 | 16267 | 20 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
| CHEMBL536803 | 16267 | 20 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
| 49781887 | 16948 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
| CHEMBL1255617 | 16948 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | ||
| 118656529 | 120165 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | ||
| CHEMBL3407810 | 120165 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | ||
| CHEMBL3547107 | 120165 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | ||
| 44401041 | 70128 | 0 | None | -46 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL194659 | 70128 | 0 | None | -46 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 12574 | 2557 | 84 | None | -16 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
| 4810 | 2557 | 84 | None | -16 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
| CHEMBL19236 | 2557 | 84 | None | -16 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
| DB09242 | 2557 | 84 | None | -16 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | ||
| 10032383 | 109608 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 136680387 | 109608 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL323579 | 109608 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 24906200 | 192543 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| CHEMBL523048 | 192543 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| 9816063 | 102587 | 0 | None | -14 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
| CHEMBL30739 | 102587 | 0 | None | -14 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | ||
| 2105 | 2993 | 34 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | 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 | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 2801 | 161313 | 56 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161313 | 56 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161313 | 56 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 16090632 | 141172 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | ||
| CHEMBL385722 | 141172 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | ||
| 9816063 | 102587 | 0 | None | -14 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
| CHEMBL30739 | 102587 | 0 | None | -14 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | ||
| 16090632 | 141172 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL385722 | 141172 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1016/j.ejmech.2010.12.026 | ||
| 15730 | 70759 | 73 | None | 1 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 70759 | 73 | None | 1 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 53325861 | 56546 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
| 53325861 | 56546 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 126225 | 94522 | 4 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| CHEMBL25467 | 94522 | 4 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 131829 | 203010 | 11 | None | -33 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL74283 | 203010 | 11 | None | -33 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| 1548953 | 205935 | 24 | None | 1 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205935 | 24 | None | 1 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 2683 | 102402 | 24 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102402 | 24 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102402 | 24 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 11097789 | 102511 | 0 | None | -43 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 102511 | 0 | None | -43 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11140345 | 202461 | 0 | None | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 202461 | 0 | None | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44401194 | 70936 | 0 | None | -28 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL195706 | 70936 | 0 | None | -28 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 1212 | 1624 | 45 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1624 | 45 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1624 | 45 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1624 | 45 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1624 | 45 | None | -54 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 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 | ||
| 26987 | 934 | 29 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 6063 | 934 | 29 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 671 | 934 | 29 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1626 | 934 | 29 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| DB00283 | 934 | 29 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| 42669828 | 121191 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588911 | 121191 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
| 15853467 | 206383 | 0 | None | -67 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL98063 | 206383 | 0 | None | -67 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 10326069 | 39044 | 1 | None | -125 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL147077 | 39044 | 1 | None | -125 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 73349359 | 92097 | 0 | None | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | 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 | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44424855 | 85015 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL226636 | 85015 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 44330609 | 162888 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL419894 | 162888 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 10324985 | 76413 | 7 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| CHEMBL199824 | 76413 | 7 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| CHEMBL2068762 | 76413 | 7 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| 9859437 | 167448 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
| CHEMBL432155 | 167448 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
| 3303 | 2204 | 41 | None | -331 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
| 5311200 | 2204 | 41 | None | -331 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
| CHEMBL267014 | 2204 | 41 | None | -331 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
| 3034396 | 101155 | 33 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | 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.9b01465 | ||
| CHEMBL299031 | 101155 | 33 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | 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.9b01465 | ||
| 196129 | 67441 | 12 | None | -295 | 15 | Human | 6.6 | pKi | = | 6.6 | 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 | -295 | 15 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
| 70693375 | 77303 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2089155 | 77303 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 11361608 | 84307 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL222928 | 84307 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11361608 | 84307 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL222928 | 84307 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11361608 | 84307 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222928 | 84307 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11300487 | 84564 | 0 | None | -5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223830 | 84564 | 0 | None | -5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
| 70693375 | 77303 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL2089155 | 77303 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 286547 | 66890 | 104 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccccc2N)CC1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL1879790 | 66890 | 104 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccccc2N)CC1 | 10.1016/j.bmc.2015.01.013 | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 44314198 | 103920 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL310335 | 103920 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 9815707 | 100986 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL297752 | 100986 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 10490084 | 203240 | 1 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
| CHEMBL76457 | 203240 | 1 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | ||
| 8447 | 188352 | 80 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| CHEMBL508112 | 188352 | 80 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| 10603951 | 204780 | 0 | None | -12 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL88448 | 204780 | 0 | None | -12 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 10531532 | 205355 | 0 | None | -28 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL91956 | 205355 | 0 | None | -28 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 24906243 | 186655 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | ||
| CHEMBL492648 | 186655 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | ||
| 11277479 | 84312 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
| CHEMBL222973 | 84312 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
| 132060733 | 161563 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4161503 | 161563 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | ||
| 71452341 | 83269 | 4 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | ||
| 10109188 | 165511 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL425803 | 165511 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 100 | 3733 | 52 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3733 | 52 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3733 | 52 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3733 | 52 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3733 | 52 | None | -27 | 56 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 10109188 | 165511 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
| CHEMBL425803 | 165511 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | ||
| 44371755 | 48498 | 0 | None | -21 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL155866 | 48498 | 0 | None | -21 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 11173544 | 165697 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL426900 | 165697 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 10221004 | 202521 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70973 | 202521 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 73355420 | 92105 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432061 | 92105 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| 132060743 | 161674 | 0 | None | 1 | 13 | Human | 6.6 | pKi | = | 6.6 | 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 | 1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 3168 | 9157 | 84 | None | -63 | 22 | Human | 6.6 | pKi | = | 6.6 | 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 | -63 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 11090351 | 162827 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL419448 | 162827 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 16757089 | 91845 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242693 | 91845 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 16757089 | 91845 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL242693 | 91845 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10220232 | 99247 | 5 | None | -57 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
| CHEMBL284795 | 99247 | 5 | None | -57 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | ||
| 135 | 2486 | 38 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2486 | 38 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2486 | 38 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2486 | 38 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2486 | 38 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 10219 | 188200 | 30 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL493439 | 188200 | 30 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL50588 | 188200 | 30 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| 44401243 | 167918 | 0 | None | -10 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL435301 | 167918 | 0 | None | -10 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 10220232 | 99247 | 5 | None | -57 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | ||
| CHEMBL284795 | 99247 | 5 | None | -57 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | ||
| 24906199 | 187072 | 12 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495096 | 187072 | 12 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| 164615845 | 184597 | 0 | None | -2 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4857492 | 184597 | 0 | None | -2 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
| 2162 | 41258 | 97 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
| CHEMBL1491 | 41258 | 97 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | ||
| 44269122 | 97645 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL273485 | 97645 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 45487144 | 196014 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | ||
| CHEMBL571314 | 196014 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | ||
| 44269122 | 97645 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL273485 | 97645 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10903226 | 13643 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1195368 | 13643 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL554416 | 13643 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 1353 | 1872 | 85 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1872 | 85 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1872 | 85 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1872 | 85 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1872 | 85 | None | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 11000184 | 12926 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 12926 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 12926 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487089 | 195953 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL570863 | 195953 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 10923927 | 202468 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| CHEMBL70740 | 202468 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| 3080926 | 155043 | 18 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | ||
| CHEMBL404505 | 155043 | 18 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | ||
| 185076 | 186497 | 4 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | ||
| CHEMBL49137 | 186497 | 4 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | ||
| 133 | 2450 | 48 | None | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | -26 | 43 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| 185076 | 186497 | 4 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | ||
| CHEMBL49137 | 186497 | 4 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | ||
| 3930 | 2111 | 36 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | ||
| 540335 | 2111 | 36 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL106525 | 2111 | 36 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | ||
| 139406787 | 176561 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4633982 | 176561 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 11057 | 175565 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175565 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175565 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175565 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 57345628 | 70824 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1956195 | 70824 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 70695474 | 77304 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2089156 | 77304 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 122442272 | 137807 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44371864 | 50853 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL157955 | 50853 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57345628 | 70824 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956195 | 70824 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57345628 | 70824 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1956195 | 70824 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 70695474 | 77304 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL2089156 | 77304 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 122442272 | 137807 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 73346336 | 92099 | 0 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432054 | 92099 | 0 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 3930 | 2111 | 36 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
| 540335 | 2111 | 36 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
| CHEMBL106525 | 2111 | 36 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | ||
| 518 | 3542 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
| 9839317 | 3542 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
| CHEMBL123138 | 3542 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
| 1268096 | 15974 | 21 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| CHEMBL122404 | 15974 | 21 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| 185076 | 186497 | 4 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL49137 | 186497 | 4 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 3157 | 1437 | 69 | None | -39 | 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 | 10.1021/jm00018a001 | ||
| 7170 | 1437 | 69 | None | -39 | 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 | 10.1021/jm00018a001 | ||
| 954 | 1437 | 69 | None | -39 | 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 | 10.1021/jm00018a001 | ||
| CHEMBL707 | 1437 | 69 | None | -39 | 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 | 10.1021/jm00018a001 | ||
| DB00590 | 1437 | 69 | None | -39 | 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 | 10.1021/jm00018a001 | ||
| 10793963 | 99198 | 0 | None | -30 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL284470 | 99198 | 0 | None | -30 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 57345626 | 70821 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1956192 | 70821 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | ||
| 57345626 | 70821 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956192 | 70821 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44312037 | 202903 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL73392 | 202903 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 213 | 3780 | 50 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 3780 | 50 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 3780 | 50 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 3780 | 50 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 3780 | 50 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2247 | 502 | 77 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2335 | 11728 | 21 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11728 | 21 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11728 | 21 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11728 | 21 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 136680386 | 205959 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328801 | 205959 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95578 | 205959 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 132060720 | 161927 | 0 | None | -7 | 9 | Human | 5.5 | pKi | = | 5.5 | 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 | -7 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| 68712 | 99861 | 57 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL289480 | 99861 | 57 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| 44371745 | 49009 | 0 | None | -12 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL156336 | 49009 | 0 | None | -12 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 25130235 | 186994 | 1 | None | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494678 | 186994 | 1 | None | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 10682720 | 203441 | 0 | None | -7 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | ||
| CHEMBL78190 | 203441 | 0 | None | -7 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | ||
| 44579186 | 181384 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL478026 | 181384 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44402583 | 71055 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 4 | 4 | 2.5 | O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL195925 | 71055 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 4 | 4 | 2.5 | O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| 44215744 | 205699 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL94129 | 205699 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 2389 | 3267 | 114 | None | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
| 5073 | 3267 | 114 | None | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
| 96 | 3267 | 114 | None | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
| CHEMBL85 | 3267 | 114 | None | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
| DB00734 | 3267 | 114 | None | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | ||
| 44438168 | 93372 | 0 | None | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL247665 | 93372 | 0 | None | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 11653915 | 123481 | 0 | None | 1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL362954 | 123481 | 0 | None | 1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
| 16090630 | 82810 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
| CHEMBL218675 | 82810 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
| 135 | 2486 | 38 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
| 1796 | 2486 | 38 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
| 4184 | 2486 | 38 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
| CHEMBL6437 | 2486 | 38 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
| DB06148 | 2486 | 38 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | ||
| 16090630 | 82810 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL218675 | 82810 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | ||
| 2216 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
| 229 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
| 7117 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
| CHEMBL647 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
| DB00964 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | ||
| 4543 | 169972 | 36 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169972 | 36 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169972 | 36 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 44325027 | 205335 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL91824 | 205335 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 521 | 1372 | 64 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
| 5311068 | 1372 | 64 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
| 835 | 1372 | 64 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
| CHEMBL778 | 1372 | 64 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
| DB00633 | 1372 | 64 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | ||
| 9960497 | 99997 | 0 | None | -933 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| CHEMBL290860 | 99997 | 0 | None | -933 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 9894818 | 98455 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL279436 | 98455 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 10333157 | 150694 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL396013 | 150694 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 10333157 | 150694 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL396013 | 150694 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11246610 | 83881 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL221523 | 83881 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44209480 | 69812 | 0 | None | -281 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| CHEMBL1940418 | 69812 | 0 | None | -281 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| 73353884 | 91876 | 0 | None | -2 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2429890 | 91876 | 0 | None | -2 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 11173568 | 84204 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222371 | 84204 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 24906160 | 168878 | 0 | None | -4 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL442815 | 168878 | 0 | None | -4 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 75306277 | 108754 | 0 | None | -15 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| CHEMBL3217984 | 108754 | 0 | None | -15 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| 49836308 | 18582 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1278084 | 18582 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 44288945 | 168338 | 0 | None | -794 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43860 | 168338 | 0 | None | -794 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 49836306 | 18373 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276247 | 18373 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 12488 | 1619 | 51 | None | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 44402352 | 71267 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 4 | 4 | 4 | 1.9 | NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL196344 | 71267 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 4 | 4 | 4 | 1.9 | NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| 10266032 | 188284 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL50720 | 188284 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 10841387 | 99144 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| CHEMBL284103 | 99144 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| 9894818 | 98455 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL279436 | 98455 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 10841387 | 99144 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL284103 | 99144 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 44390749 | 63564 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL180561 | 63564 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44579184 | 190349 | 4 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL518592 | 190349 | 4 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 294234 | 102407 | 3 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL305928 | 102407 | 3 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| 487 | 3564 | 17 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 60602 | 3564 | 17 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| CHEMBL405355 | 3564 | 17 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| DB09239 | 3564 | 17 | None | -912 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 11186227 | 84284 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222798 | 84284 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44582676 | 189177 | 0 | None | -102 | 18 | Human | 6.5 | pKi | = | 6.5 | 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 | -102 | 18 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 9884781 | 38423 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | ||
| CHEMBL146556 | 38423 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | ||
| 24906196 | 186653 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL492639 | 186653 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 10319299 | 81161 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216290 | 81161 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 10132386 | 96638 | 1 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL267464 | 96638 | 1 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 16090621 | 141031 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL384925 | 141031 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 9794524 | 203125 | 2 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
| CHEMBL75491 | 203125 | 2 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | ||
| 28417 | 39784 | 48 | None | -1 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| CHEMBL1479 | 39784 | 48 | None | -1 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 1267 | 3732 | 43 | None | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
| 3035905 | 3732 | 43 | None | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
| CHEMBL260374 | 3732 | 43 | None | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
| CHEMBL4798829 | 212279 | 4 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | c1ccc2oc(-c3csc(C4CCN(Cc5nc6ncccc6[nH]5)CC4)n3)cc2c1 | nan | ||||
| 10319299 | 81161 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
| CHEMBL216290 | 81161 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
| 10132386 | 96638 | 1 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL267464 | 96638 | 1 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | ||
| 16090621 | 141031 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | ||
| CHEMBL384925 | 141031 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | ||
| 10946567 | 16277 | 0 | None | -28 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| CHEMBL123448 | 16277 | 0 | None | -28 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| 155561439 | 175083 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | ||
| 2286 | 3122 | 48 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3122 | 48 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3122 | 48 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3122 | 48 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3122 | 48 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 44329026 | 206673 | 0 | None | -69 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL99864 | 206673 | 0 | None | -69 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 1028 | 287 | 69 | None | -52 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 287 | 69 | None | -52 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 287 | 69 | None | -52 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 287 | 69 | None | -52 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 287 | 69 | None | -52 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 287 | 69 | None | -52 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 222757 | 98904 | 70 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 5.5 | pKi | = | 5.5 | 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 | ||
| 44325038 | 205179 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL90966 | 205179 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 3072540 | 81989 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217366 | 81989 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | ||
| 16757089 | 91845 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242693 | 91845 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 2284 | 3121 | 27 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3121 | 27 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3121 | 27 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3121 | 27 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3121 | 27 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 3072540 | 81989 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
| CHEMBL217366 | 81989 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | ||
| 242 | 467 | 117 | None | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | 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 | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | ||
| 9809007 | 171986 | 6 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| CHEMBL448620 | 171986 | 6 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 487 | 3564 | 17 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| 60602 | 3564 | 17 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| CHEMBL405355 | 3564 | 17 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| DB09239 | 3564 | 17 | None | -912 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| 4150 | 774 | 36 | None | -562 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
| 5288 | 774 | 36 | None | -562 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
| 644019 | 774 | 36 | None | -562 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
| CHEMBL190461 | 774 | 36 | None | -562 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
| DB09061 | 774 | 36 | None | -562 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | ||
| 9809007 | 171986 | 6 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL448620 | 171986 | 6 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 9851486 | 204962 | 0 | None | -316 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL89685 | 204962 | 0 | None | -316 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 73349362 | 92104 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432060 | 92104 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 16090633 | 80036 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
| CHEMBL214661 | 80036 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
| 16090633 | 80036 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL214661 | 80036 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
| 57400959 | 70829 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956200 | 70829 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 10436842 | 99779 | 0 | None | -4786 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288772 | 99779 | 0 | None | -4786 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 16090597 | 140926 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL384318 | 140926 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 16090597 | 140926 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL384318 | 140926 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 10508332 | 105498 | 0 | None | -269 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
| CHEMBL313160 | 105498 | 0 | None | -269 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
| 28918670 | 92041 | 2 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL2431279 | 92041 | 2 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| 127036953 | 136977 | 0 | None | -39 | 22 | Human | 6.4 | pKi | = | 6.4 | 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 | -39 | 22 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 44269140 | 33319 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL14208 | 33319 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 73352415 | 92092 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432044 | 92092 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 10916464 | 202443 | 0 | None | -8 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70563 | 202443 | 0 | None | -8 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 12576 | 511 | 87 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
| 71310 | 511 | 87 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
| CHEMBL353972 | 511 | 87 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
| DB11481 | 511 | 87 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | ||
| 44438166 | 93371 | 0 | None | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL247664 | 93371 | 0 | None | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 46891598 | 7082 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | ||
| CHEMBL1085510 | 7082 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | ||
| 44424855 | 85015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL226636 | 85015 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 44324859 | 111109 | 0 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL328377 | 111109 | 0 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324765 | 111067 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL328114 | 111067 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 16090631 | 81965 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217253 | 81965 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1016/j.ejmech.2010.12.026 | ||
| 16090631 | 81965 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | ||
| CHEMBL217253 | 81965 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | ||
| 3191 | 102372 | 93 | None | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | 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 | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 10655607 | 203037 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | ||
| CHEMBL74544 | 203037 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | ||
| 12304323 | 8945 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 4 | 8 | 12 | -0.5 | O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/np1000329 | ||
| CHEMBL1098724 | 8945 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 4 | 8 | 12 | -0.5 | O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/np1000329 | ||
| 10507651 | 204771 | 0 | None | -45 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| CHEMBL88388 | 204771 | 0 | None | -45 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| 10382537 | 202456 | 11 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL70676 | 202456 | 11 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 2353 | 100630 | 75 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL12089 | 100630 | 75 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL295124 | 100630 | 75 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| 10627021 | 106598 | 0 | None | -301 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
| CHEMBL315914 | 106598 | 0 | None | -301 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
| 10317643 | 98075 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL276417 | 98075 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
| 10818003 | 105927 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
| CHEMBL313953 | 105927 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
| 66561967 | 74340 | 0 | None | -6 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030626 | 74340 | 0 | None | -6 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| 44421258 | 84308 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL1204386 | 84308 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL222933 | 84308 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 127035062 | 135915 | 0 | None | -14 | 19 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735756 | 135915 | 0 | None | -14 | 19 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 10317643 | 98075 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
| CHEMBL276417 | 98075 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | ||
| 155770281 | 177163 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4642592 | 177163 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 122186880 | 122452 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | ||
| 71463061 | 83367 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205813 | 83367 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 44328654 | 106688 | 0 | None | -114 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL316495 | 106688 | 0 | None | -114 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 4011 | 81982 | 43 | None | -28 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81982 | 43 | None | -28 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 33630 | 178369 | 94 | None | -9 | 28 | Human | 6.4 | pKi | = | 6.4 | 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 | -9 | 28 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 73213196 | 103968 | 1 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
| CHEMBL3104093 | 103968 | 1 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
| 73213196 | 103968 | 1 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 103968 | 1 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 73213196 | 103968 | 1 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 103968 | 1 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 57401706 | 69813 | 0 | None | -7 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| CHEMBL1940419 | 69813 | 0 | None | -7 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| 463 | 1373 | 17 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 6918097 | 1373 | 17 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 837 | 1373 | 17 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| CHEMBL2051956 | 1373 | 17 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| DB14068 | 1373 | 17 | None | -48 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 6918276 | 15420 | 4 | None | -47 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL1221512 | 15420 | 4 | None | -47 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| 44269089 | 96544 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL266613 | 96544 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 9809007 | 171986 | 6 | None | -724 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| CHEMBL448620 | 171986 | 6 | None | -724 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 191 | 399 | 92 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 60838 | 183282 | 95 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| CHEMBL481 | 183282 | 95 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| 44288847 | 164746 | 0 | None | -3311 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL42335 | 164746 | 0 | None | -3311 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 10769331 | 111032 | 0 | None | -91 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
| CHEMBL327931 | 111032 | 0 | None | -91 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
| 135453290 | 133070 | 23 | None | -1548 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL371300 | 133070 | 23 | None | -1548 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 136680384 | 205911 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328799 | 205911 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95290 | 205911 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 71461344 | 83378 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205833 | 83378 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1 | 10.1016/j.bmc.2013.07.045 | ||
| 73347827 | 92098 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432052 | 92098 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 1443 | 1989 | 30 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 33625 | 1989 | 30 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 501 | 1989 | 30 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| CHEMBL279516 | 1989 | 30 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| DB08950 | 1989 | 30 | None | -11 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 10474335 | 193015 | 16 | None | -16 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL53325 | 193015 | 16 | None | -16 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| 10626982 | 110994 | 0 | None | -8 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL327775 | 110994 | 0 | None | -8 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 9947861 | 202452 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70634 | 202452 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44269013 | 30113 | 1 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL13917 | 30113 | 1 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| 57345625 | 70820 | 0 | None | -16 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956191 | 70820 | 0 | None | -16 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 45487962 | 195799 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL569933 | 195799 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| 44312198 | 202873 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL73164 | 202873 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 44579185 | 181222 | 0 | None | 7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL477816 | 181222 | 0 | None | 7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 10362866 | 81873 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217203 | 81873 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 10070896 | 82769 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL218457 | 82769 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 10362866 | 81873 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
| CHEMBL217203 | 81873 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
| 10070896 | 82769 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
| CHEMBL218457 | 82769 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | ||
| 441975 | 16259 | 49 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| CHEMBL123325 | 16259 | 49 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | -2 | 50 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 44402531 | 69254 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 468 | 5 | 4 | 6 | 0.9 | COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL193458 | 69254 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 468 | 5 | 4 | 6 | 0.9 | COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| 44325075 | 111260 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL328735 | 111260 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 10473701 | 82811 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL218679 | 82811 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 10473701 | 82811 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | ||
| CHEMBL218679 | 82811 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | ||
| 134551 | 355 | 25 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 49781005 | 17017 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256503 | 17017 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 10251036 | 81459 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
| CHEMBL216464 | 81459 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
| 10251036 | 81459 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216464 | 81459 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| 10475736 | 165299 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL424917 | 165299 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| 10475736 | 165299 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
| CHEMBL424917 | 165299 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
| 657255 | 197396 | 29 | None | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | 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 | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 16090599 | 81119 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216072 | 81119 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 50878551 | 90300 | 60 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | 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 | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 45487958 | 196704 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL576819 | 196704 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| 7059292 | 75932 | 7 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | ||
| CHEMBL2058633 | 75932 | 7 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | ||
| 73346332 | 92089 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432041 | 92089 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 50878551 | 90300 | 60 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | 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 | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 10198135 | 203405 | 3 | None | -51 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | ||
| CHEMBL77913 | 203405 | 3 | None | -51 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | ||
| 44329027 | 4089 | 0 | None | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL100045 | 4089 | 0 | None | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 10177445 | 165478 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL425622 | 165478 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| 10177445 | 165478 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | ||
| CHEMBL425622 | 165478 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | ||
| 44292381 | 100911 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL297228 | 100911 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 46743607 | 121185 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588905 | 121185 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| 71450550 | 83379 | 0 | None | -1 | 16 | Human | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 8032110 | 121183 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 198 | 3 | 1 | 2 | 3.0 | Cc1ccccc1NCc1ccncc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588903 | 121183 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 198 | 3 | 1 | 2 | 3.0 | Cc1ccccc1NCc1ccncc1 | 10.1016/j.bmc.2015.01.013 | ||
| 16757182 | 152705 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL397753 | 152705 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 16757182 | 152705 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL397753 | 152705 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 2726 | 904 | 64 | None | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 904 | 64 | None | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 904 | 64 | None | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 904 | 64 | None | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 904 | 64 | None | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 2600 | 3708 | 73 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2765 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| 515 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| CHEMBL13852 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| DB09202 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | ||
| 2765 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 515 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| CHEMBL13852 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| DB09202 | 928 | 16 | None | -15 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 49783209 | 17412 | 0 | None | -977 | 27 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 17412 | 0 | None | -977 | 27 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 71459604 | 83365 | 0 | None | 1 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205811 | 83365 | 0 | None | 1 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 237 | 203147 | 43 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203147 | 43 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203147 | 43 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203147 | 43 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 101333429 | 116562 | 0 | None | -1412 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
| CHEMBL3392247 | 116562 | 0 | None | -1412 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
| 11564613 | 19200 | 100 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2cccc(N)c2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL129399 | 19200 | 100 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2cccc(N)c2)CC1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL1200633 | 206848 | 3 | None | -1 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
| 1201549 | 590 | 22 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | 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 | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 10531766 | 205259 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| CHEMBL91415 | 205259 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| 12699315 | 75930 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
| CHEMBL2058631 | 75930 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | ||
| CHEMBL4513786 | 212207 | 5 | None | -1047 | 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 | -1047 | 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 | ||||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 3561 | 18871 | 34 | None | -2 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| CHEMBL1289 | 18871 | 34 | None | -2 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | ||
| 11448533 | 84253 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | ||
| CHEMBL222591 | 84253 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | ||
| 11473729 | 84254 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | ||
| CHEMBL222593 | 84254 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | ||
| 44401164 | 69458 | 0 | None | -309 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL193639 | 69458 | 0 | None | -309 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 49783419 | 17552 | 0 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258671 | 17552 | 0 | None | -1778 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 24771824 | 57030 | 53 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.4 | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | nan | ||
| CHEMBL1651534 | 57030 | 53 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.4 | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | nan | ||
| CHEMBL4780458 | 212277 | 0 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1 | nan | ||||
| 44324765 | 111067 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL328114 | 111067 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 9846548 | 205584 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL93489 | 205584 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 10474679 | 96716 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL268217 | 96716 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | ||
| 10474679 | 96716 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
| CHEMBL268217 | 96716 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | ||
| 6761 | 67442 | 17 | None | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 67442 | 17 | None | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 16090596 | 81865 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL217177 | 81865 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 16090596 | 81865 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217177 | 81865 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 44568347 | 191045 | 0 | None | -28 | 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 | -28 | 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 | ||
| 118717248 | 114613 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
| CHEMBL3343699 | 114613 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | ||
| 11098175 | 202460 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL70691 | 202460 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 11034737 | 202813 | 0 | None | -3 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 202813 | 0 | None | -3 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 57345627 | 70823 | 0 | None | -8 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956194 | 70823 | 0 | None | -8 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 5353853 | 17788 | 41 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 17788 | 41 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 17788 | 41 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 441383 | 20118 | 54 | None | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20118 | 54 | None | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 2337 | 3193 | 72 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3193 | 72 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3193 | 72 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3193 | 72 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3193 | 72 | None | -10 | 63 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 57401787 | 70894 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
| CHEMBL1956906 | 70894 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
| 56645363 | 120963 | 7 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | nan | ||
| CHEMBL3582478 | 120963 | 7 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | nan | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
| 505 | 2805 | 64 | None | -12 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | ||
| 49836303 | 18370 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276220 | 18370 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 49836303 | 18370 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276220 | 18370 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 1265 | 927 | 54 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
| 6422124 | 927 | 54 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
| CHEMBL14638 | 927 | 54 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
| 10508016 | 205417 | 0 | None | -17 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
| CHEMBL92322 | 205417 | 0 | None | -17 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
| 72947314 | 92044 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
| CHEMBL2431281 | 92044 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | ||
| 127036932 | 136811 | 0 | None | -20 | 22 | Human | 6.2 | pKi | = | 6.2 | 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 | -20 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 57395732 | 70832 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956203 | 70832 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 2406 | 99925 | 84 | None | -11 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| CHEMBL290106 | 99925 | 84 | None | -11 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | ||
| 122295 | 9760 | 6 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
| CHEMBL114166 | 9760 | 6 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | ||
| 122295 | 9760 | 6 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
| CHEMBL114166 | 9760 | 6 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
| 44568614 | 187030 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| CHEMBL494885 | 187030 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| 11265631 | 135873 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL373535 | 135873 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11265631 | 135873 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL373535 | 135873 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 24882007 | 12352 | 1 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
| CHEMBL1186220 | 12352 | 1 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | ||
| 15675860 | 202714 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72147 | 202714 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| 44312036 | 202849 | 0 | None | 5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72995 | 202849 | 0 | None | 5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
| 434526 | 77200 | 27 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL2087646 | 77200 | 27 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
| 44421258 | 84308 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL1204386 | 84308 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL222933 | 84308 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 505 | 2805 | 64 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 68617 | 203806 | 60 | None | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | 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 | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | 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 | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL4777443 | 212276 | 0 | None | -31 | 14 | Human | 6.2 | pKi | = | 6.2 | 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 | ||||
| 44288877 | 168023 | 0 | None | -933 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43594 | 168023 | 0 | None | -933 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL4516843 | 212210 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NS(=O)(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CC2)ccc1Oc1cccc(Cl)c1 | nan | ||||
| 49781004 | 17016 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256502 | 17016 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 10848826 | 188283 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL50719 | 188283 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 57345629 | 70826 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1956197 | 70826 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 57345629 | 70826 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956197 | 70826 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 24906197 | 187073 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495097 | 187073 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 44401042 | 124296 | 0 | None | -181 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL364270 | 124296 | 0 | None | -181 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL179334 | 62958 | 0 | None | -3715 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 36381 | 12818 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL1189234 | 12818 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 36381 | 12818 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1189234 | 12818 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
| 73355415 | 92087 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432039 | 92087 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| 9839050 | 111873 | 0 | None | -144 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL329566 | 111873 | 0 | None | -144 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | ||
| 1593 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 30668 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 9868 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL17860 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| DB04948 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 9923679 | 81336 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | ||
| CHEMBL216399 | 81336 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | ||
| 9923679 | 81336 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216399 | 81336 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1016/j.ejmech.2010.12.026 | ||
| 11058166 | 202989 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74114 | 202989 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 24906241 | 192205 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| CHEMBL522151 | 192205 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| 71457691 | 83371 | 0 | None | -2 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205823 | 83371 | 0 | None | -2 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 10045088 | 80161 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL214996 | 80161 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | ||
| 10045088 | 80161 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
| CHEMBL214996 | 80161 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | ||
| 16090623 | 82028 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217567 | 82028 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 16090623 | 82028 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
| CHEMBL217567 | 82028 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
| 129211 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 2562 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 488 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| CHEMBL836 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| DB00706 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 49836301 | 18365 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276140 | 18365 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | ||
| 44269006 | 32122 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL14107 | 32122 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | ||
| 49836301 | 18365 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276140 | 18365 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836301 | 18365 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1276140 | 18365 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| 11140033 | 20468 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL130884 | 20468 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11199593 | 136662 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL374954 | 136662 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 5318 | 15385 | 44 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15385 | 44 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15385 | 44 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 44424855 | 85015 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL226636 | 85015 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 13178306 | 121182 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588902 | 121182 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
| 11360447 | 84563 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223829 | 84563 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 10651080 | 105449 | 0 | None | -83 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL312871 | 105449 | 0 | None | -83 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 46743614 | 121186 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 317 | 4 | 1 | 3 | 2.7 | CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588906 | 121186 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 317 | 4 | 1 | 3 | 2.7 | CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1 | 10.1016/j.bmc.2015.01.013 | ||
| 44401164 | 69458 | 0 | None | -309 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL193639 | 69458 | 0 | None | -309 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL508338 | 188369 | 0 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 490 | 190 | 5 | None | -724 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9890547 | 190 | 5 | None | -724 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL268758 | 190 | 5 | None | -724 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 57395731 | 70831 | 0 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956202 | 70831 | 0 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57403508 | 70893 | 0 | None | -2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
| CHEMBL1956905 | 70893 | 0 | None | -2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | ||
| 44401105 | 69218 | 0 | None | -83 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL193435 | 69218 | 0 | None | -83 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 57399145 | 70825 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956196 | 70825 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 31101 | 719 | 39 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 16090624 | 81975 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| CHEMBL217278 | 81975 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| 16090624 | 81975 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217278 | 81975 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| 1836 | 2544 | 56 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
| 16090634 | 81868 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217180 | 81868 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 135398745 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 25053351 | 172426 | 0 | None | -371 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | ||
| CHEMBL451821 | 172426 | 0 | None | -371 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | ||
| 23622576 | 172193 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL451229 | 172193 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| 73213195 | 103967 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104092 | 103967 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 16090599 | 81119 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL216072 | 81119 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 10579368 | 105511 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL313251 | 105511 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 73213195 | 103967 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104092 | 103967 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 44401106 | 123795 | 0 | None | -120 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL363581 | 123795 | 0 | None | -120 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 44549156 | 18368 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL1276218 | 18368 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | ||
| 45487956 | 196680 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
| CHEMBL576623 | 196680 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 44549156 | 18368 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276218 | 18368 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 44292385 | 100639 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL295186 | 100639 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 11080 | 28857 | 74 | None | -3 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| CHEMBL1381098 | 28857 | 74 | None | -3 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| 72947315 | 92043 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
| CHEMBL2431280 | 92043 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | ||
| 127026052 | 137015 | 0 | None | -47 | 19 | Human | 6.1 | pKi | = | 6.1 | 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 | -47 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 44456400 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL1188501 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL2436555 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL536539 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| 11750482 | 146876 | 0 | None | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL392991 | 146876 | 0 | None | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 44402579 | 132220 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 3 | 3 | 5 | 1.8 | COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL370005 | 132220 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 3 | 3 | 5 | 1.8 | COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | ||
| 10318507 | 58630 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL1689423 | 58630 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 16090595 | 140857 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL383978 | 140857 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | ||
| 10318507 | 58630 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL1689423 | 58630 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 16090595 | 140857 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| CHEMBL383978 | 140857 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | ||
| 136019934 | 143985 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL390718 | 143985 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | ||
| 16090622 | 81872 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217202 | 81872 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 16090628 | 141243 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL386169 | 141243 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 16090622 | 81872 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | ||
| CHEMBL217202 | 81872 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | ||
| 16090628 | 141243 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | ||
| CHEMBL386169 | 141243 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | ||
| 44402477 | 133213 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 | 10.1016/j.bmcl.2005.03.116 | ||
| CHEMBL371516 | 133213 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 | 10.1016/j.bmcl.2005.03.116 | ||
| 180 | 397 | 50 | None | -16 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -16 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -16 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -16 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -16 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 9837551 | 101140 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | ||
| CHEMBL298936 | 101140 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | ||
| 16090601 | 81966 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217254 | 81966 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 10065083 | 31872 | 1 | None | -12 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 0 | 5 | 2.4 | O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| CHEMBL140872 | 31872 | 1 | None | -12 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 0 | 5 | 2.4 | O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2011.12.019 | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 9828476 | 205187 | 0 | None | -354 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL91022 | 205187 | 0 | None | -354 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 5280953 | 96900 | 102 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | ||
| CHEMBL269538 | 96900 | 102 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | ||
| 10508132 | 106521 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL315392 | 106521 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
| 491 | 191 | 4 | None | -1000 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891167 | 191 | 4 | None | -1000 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13856 | 191 | 4 | None | -1000 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 16090627 | 81141 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | ||
| CHEMBL216197 | 81141 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | ||
| 135398745 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
| 47 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
| CHEMBL715 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
| DB00334 | 2858 | 108 | None | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | ||
| 16090627 | 81141 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216197 | 81141 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1016/j.ejmech.2010.12.026 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 1242 | 3543 | 23 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 935 | 3543 | 23 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL286080 | 3543 | 23 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 16090594 | 81699 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL216674 | 81699 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 24841480 | 183307 | 0 | None | -416 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183307 | 0 | None | -416 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 57402717 | 70828 | 2 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956199 | 70828 | 2 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 24906201 | 186760 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| CHEMBL493272 | 186760 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| 4657799 | 121187 | 3 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 2.7 | NCCCN(C(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588907 | 121187 | 3 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 2.7 | NCCCN(C(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 16090594 | 81699 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
| CHEMBL216674 | 81699 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | ||
| 44456400 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL1188501 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL2436555 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| CHEMBL536539 | 12710 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | ||
| 24906198 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| CHEMBL495095 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | ||
| 44314200 | 102466 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL306377 | 102466 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 24906198 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495095 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 45487145 | 195972 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL570973 | 195972 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 24906198 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL495095 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
| 24906198 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL495095 | 187071 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
| 44292386 | 100999 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL297827 | 100999 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 57339144 | 91792 | 71 | None | -11 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | nan | ||
| CHEMBL2426364 | 91792 | 71 | None | -11 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | nan | ||
| 199798 | 74342 | 9 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030634 | 74342 | 9 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| 73349361 | 92102 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432058 | 92102 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 16090625 | 82004 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| CHEMBL217452 | 82004 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | ||
| 16090625 | 82004 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217452 | 82004 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | ||
| 10674896 | 204908 | 0 | None | -478 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
| CHEMBL89243 | 204908 | 0 | None | -478 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
| 57402718 | 70830 | 2 | None | -8 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956201 | 70830 | 2 | None | -8 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 9795515 | 203102 | 0 | None | -17 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | ||
| CHEMBL75257 | 203102 | 0 | None | -17 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | ||
| 10632290 | 203028 | 4 | None | -2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | ||
| CHEMBL74449 | 203028 | 4 | None | -2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | ||
| 44328920 | 108141 | 0 | None | -77 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL320736 | 108141 | 0 | None | -77 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44324900 | 205161 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL90843 | 205161 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44325028 | 205233 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL91297 | 205233 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44325079 | 205446 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL92496 | 205446 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324860 | 205755 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL94435 | 205755 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 49781008 | 17053 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| CHEMBL1256608 | 17053 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | ||
| 24839550 | 136778 | 14 | None | -14 | 15 | Human | 6.1 | pKi | = | 6.1 | 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 | -14 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 16090601 | 81966 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | ||
| CHEMBL217254 | 81966 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | ||
| 44579303 | 186180 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL488974 | 186180 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 16090602 | 82022 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | ||
| CHEMBL217542 | 82022 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | ||
| 16090602 | 82022 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
| CHEMBL217542 | 82022 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | ||
| 44438161 | 146596 | 0 | None | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL392771 | 146596 | 0 | None | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 44438165 | 166220 | 0 | None | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL428407 | 166220 | 0 | None | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 44330571 | 163436 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| CHEMBL420830 | 163436 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | ||
| 44330571 | 163436 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL420830 | 163436 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44324737 | 205498 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| CHEMBL92860 | 205498 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | ||
| 44438148 | 93044 | 0 | None | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| CHEMBL246229 | 93044 | 0 | None | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | ||
| 11465618 | 101913 | 18 | None | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | 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 | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | 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 | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 9809007 | 171986 | 6 | None | -724 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL448620 | 171986 | 6 | None | -724 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 24906159 | 186812 | 12 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL493675 | 186812 | 12 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
| 11186523 | 126976 | 0 | None | -66 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| CHEMBL366164 | 126976 | 0 | None | -66 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | ||
| 1343 | 1850 | 55 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 1850 | 55 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 1850 | 55 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 1850 | 55 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 1850 | 55 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 9906978 | 42451 | 1 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| CHEMBL150161 | 42451 | 1 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 1547484 | 925 | 70 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 925 | 70 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 925 | 70 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 925 | 70 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 925 | 70 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL4520788 | 212215 | 6 | None | -4 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 5280805 | 84967 | 76 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | ||
| CHEMBL226335 | 84967 | 76 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | ||
| 4407909 | 192254 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | 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 | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | ||
| 57395663 | 70822 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956193 | 70822 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 11043720 | 91726 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242265 | 91726 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11043720 | 91726 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL242265 | 91726 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 49783415 | 17481 | 0 | None | -1348 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258452 | 17481 | 0 | None | -1348 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| 73355418 | 92100 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432056 | 92100 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 108094 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
| 108094 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
| 526 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
| 526 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
| 528 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
| 528 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
| CHEMBL10332 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | ||
| CHEMBL10332 | 3356 | 22 | None | -2 | 4 | Human | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | ||
| 136 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 1353247 | ||
| 136 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 8819505 | ||
| 223 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 1353247 | ||
| 223 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 8819505 | ||
| 643606 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 1353247 | ||
| 643606 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 8819505 | ||
| CHEMBL10347 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 1353247 | ||
| CHEMBL10347 | 3228 | 28 | None | 3 | 16 | Human | 9.9 | pKd | None | 9.9 | 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 | 8819505 | ||
| None | 214247 | 0 | 3H-RAUWOLSCINE | 8 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 339 | 0 | 0 | 3 | 3.3 | CN1CCC2(CCN3CCC4=C(C3C2)OC5=CC=CC=C45)N(C1=O)C | None | ||
| 138107169 | 214163 | 0 | 3H-RAUWOLSCINE | -1 | 23 | Human | 10.4 | pKi | = | 10.4 | 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 | -1 | 23 | Human | 10.4 | pKi | = | 10.4 | 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-RAUWOLSCINE | -3 | 23 | North American opossum | 10.1 | pKi | = | 10.1 | 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 | -3 | 23 | North American opossum | 10.1 | pKi | = | 10.1 | 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-RAUWOLSCINE | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 5268 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 138107169 | 214163 | 0 | 3H-RAUWOLSCINE | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 23 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| None | 214248 | 0 | 3H-RAUWOLSCINE | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 953 | 28 | 10 | 12 | 0.9 | CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S | None | ||
| 102 | 4051 | 44 | 3H-RAUWOLSCINE | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | -2 | 50 | Human | 9.7 | pKi | = | 9.7 | 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 | ||
| CHEMBL1196898 | 214249 | 0 | 3H-RAUWOLSCINE | -1 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 248 | 3 | 1 | 5 | 1.2 | CCOC1(COC2=CC=CC=C2O1)C3=NCCN3 | None | ||
| 102 | 4051 | 44 | 3H-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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-RX821002 | -2 | 50 | Human | 9.6 | pKi | = | 9.6 | 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 | ||
| 5268 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| None | 214169 | 0 | 3H-RAUWOLSCINE | -4 | 20 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 102 | 4051 | 44 | 3H-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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-RAUWOLSCINE | -2 | 50 | Human | 9.5 | pKi | = | 9.5 | 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 | ||
| 164512323 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 6419959 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 5268 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 102 | 4051 | 44 | 3H-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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-RAUWOLSCINE | 2 | 50 | North American opossum | 9.4 | pKi | = | 9.4 | 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 | ||
| None | 214169 | 0 | 3H-RAUWOLSCINE | -4 | 20 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 12576 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| 71310 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| CHEMBL353972 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| DB11481 | 511 | 87 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| None | 214172 | 0 | 3H-RAUWOLSCINE | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 295 | 5 | 2 | 3 | 3.0 | C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O | None | ||
| 138107169 | 214163 | 0 | 35S-GTPGammaS | -1 | 23 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 22831402 | 214163 | 0 | 35S-GTPGammaS | -1 | 23 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 12575 | 1949 | 28 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 54459 | 1949 | 28 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| CHEMBL10316 | 1949 | 28 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| None | 214251 | 0 | 3H-RAUWOLSCINE | 9 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 401 | 6 | 1 | 5 | 0.6 | CS(=O)(=O)NCCN(C1CCN2CCC3=CC=CC=C3C2C1)S(=O)(=O)C | None | ||
| 5268 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 5268 | 3586 | 34 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| None | 214169 | 0 | 3H-RAUWOLSCINE | -4 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 2601 | 3709 | 30 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
| 138107169 | 214163 | 0 | 3H-MK912 | -1 | 23 | Human | 9.1 | pKi | = | 9.1 | 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-MK912 | -1 | 23 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 108094 | 3356 | 22 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| 526 | 3356 | 22 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| 528 | 3356 | 22 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| CHEMBL10332 | 3356 | 22 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| 44438167 | 148426 | 0 | UNDEFINED | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | ||
| CHEMBL394218 | 148426 | 0 | UNDEFINED | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | ||
| None | 214170 | 0 | 3H-RAUWOLSCINE | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 358 | 4 | 0 | 3 | 2.8 | CCCS(=O)(=O)N(C)C1CCN2CCC3=CC=CC=C3C2C1.Cl | None | ||
| 5268 | 3586 | 34 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 53 | 3586 | 34 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| CHEMBL300555 | 3586 | 34 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | ||
| 164512323 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 6419959 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 2389 | 3267 | 114 | 3H-CLONIDINE | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-CLONIDINE | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-CLONIDINE | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-CLONIDINE | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-CLONIDINE | -12 | 68 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 6040 | 214252 | 0 | 3H-RAUWOLSCINE | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 233 | 2 | 0 | 3 | 2.3 | C1CCN(CC1)CC2COC3=CC=CC=C3O2 | None | ||
| 41 | 1621 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
| 72036 | 1621 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
| CHEMBL1765294 | 1621 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | ||
| None | 214169 | 0 | 3H-RAUWOLSCINE | -10 | 20 | North American opossum | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 164512323 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 6419959 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 219050 | 3309 | 21 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 52 | 3309 | 21 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| CHEMBL431367 | 3309 | 21 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 108094 | 3356 | 22 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| 526 | 3356 | 22 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| 528 | 3356 | 22 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| CHEMBL10332 | 3356 | 22 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | ||
| None | 214957 | 0 | UNDEFINED | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 390 | 1 | 2 | 4 | 3.1 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl | None | ||
| 102 | 4051 | 44 | 3H-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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-RX821002 | -26 | 50 | Rat | 8.0 | pKi | = | 8.0 | 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 | ||
| 4209 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 165193 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3126 | 60 | 3H-RAUWOLSCINE | -1000 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 119570 | 3098 | 90 | 3H-RX821002 | -89 | 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-RX821002 | -89 | 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-RX821002 | -89 | 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-RX821002 | -89 | 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-RX821002 | -89 | 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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RAUWOLSCINE | -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-RX821002 | -2089 | 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-RX821002 | -2089 | 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-RX821002 | -2089 | 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 | ||
| 523 | 4031 | 90 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
| 5707 | 4031 | 90 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
| CHEMBL297362 | 4031 | 90 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
| DB11477 | 4031 | 90 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | ||
| 2662 | 11264 | 124 | 3H-CLONIDINE | -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-CLONIDINE | -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 | ||
| 156391 | 46522 | 95 | 3H-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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 | ||
| 44603087 | 67435 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | ||
| CHEMBL1079079 | 67435 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | ||
| CHEMBL1908985 | 67435 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | ||
| 10624 | 69942 | 17 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 69942 | 17 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 69942 | 17 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 2244 | 93785 | 96 | 3H-CLONIDINE | -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-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| 3663 | 99492 | 79 | 3H-CLONIDINE | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| CHEMBL286494 | 99492 | 79 | 3H-CLONIDINE | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| 446220 | 132985 | 13 | 3H-CLONIDINE | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 132985 | 13 | 3H-CLONIDINE | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 5280343 | 187681 | 119 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 187681 | 119 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 187681 | 119 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 54676228 | 192864 | 108 | 3H-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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 | ||
| 4054 | 203780 | 64 | 125I-Clonidine | -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 | 125I-Clonidine | -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 | 125I-Clonidine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 11954224 | 214164 | 0 | 3H-CLONIDINE | -4168 | 60 | Human | 5.0 | pKi | = | 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 | 214207 | 0 | 3H-RAUWOLSCINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
| 25137849 | 214415 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 214415 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| None | 214550 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 214551 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 214552 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 214553 | 0 | 3H-CLONIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 214554 | 0 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 214555 | 0 | 3H-CLONIDINE | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 214556 | 0 | 3H-CLONIDINE | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 214557 | 0 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 214566 | 0 | 3H-CLONIDINE | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
| 4978 | 214567 | 0 | 3H-CLONIDINE | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
| None | 214568 | 0 | 3H-CLONIDINE | -2 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| None | 214570 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
| None | 214581 | 0 | 3H-RX821002 | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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-CLONIDINE | -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 | ||
| 119607 | 214637 | 0 | 3H-CLONIDINE | -97 | 28 | Human | 5.0 | pKi | = | 5 | 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 | ||
| None | 214638 | 0 | 3H-CLONIDINE | -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 | 214737 | 0 | 3H-CLONIDINE | -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 | ||
| 115237 | 55281 | 113 | 3H-RAUWOLSCINE | -29 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | 3H-RAUWOLSCINE | -29 | 55 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 11293787 | 147669 | 0 | UNDEFINED | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | ||
| CHEMBL393597 | 147669 | 0 | UNDEFINED | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | ||
| 1343 | 1850 | 55 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 3519 | 1850 | 55 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 522 | 1850 | 55 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| CHEMBL862 | 1850 | 55 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| DB01018 | 1850 | 55 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 1615 | 167217 | 22 | 3H-CLONIDINE | -3 | 45 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167217 | 22 | 3H-CLONIDINE | -3 | 45 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 2726 | 904 | 64 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-RAUWOLSCINE | -67 | 73 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1220 | 186 | 46 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 31 | 186 | 46 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 7 | 186 | 46 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| CHEMBL56 | 186 | 46 | 3H-RAUWOLSCINE | -93 | 45 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | ||
| 135409468 | 1996 | 63 | 3H-CLONIDINE | -41 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 1996 | 63 | 3H-CLONIDINE | -41 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 1996 | 63 | 3H-CLONIDINE | -41 | 40 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 186 | 1769 | 47 | 3H-CLONIDINE | -263 | 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-CLONIDINE | -263 | 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-CLONIDINE | -263 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 164512323 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 6419959 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 2142 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 2402 | 3306 | 58 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3306 | 58 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3306 | 58 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3306 | 58 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3306 | 58 | 3H-RX821002 | -5 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 1212 | 1624 | 45 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | 3H-RAUWOLSCINE | -54 | 66 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 25137849 | 214415 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 214415 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 7153 | 97557 | 74 | 3H-CLONIDINE | -6 | 34 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97557 | 74 | 3H-CLONIDINE | -6 | 34 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 3658 | 4032 | 47 | 35S-GTPGammaS | -11 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 517 | 4032 | 47 | 35S-GTPGammaS | -11 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 5709 | 4032 | 47 | 35S-GTPGammaS | -11 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| CHEMBL312448 | 4032 | 47 | 35S-GTPGammaS | -11 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| DB06694 | 4032 | 47 | 35S-GTPGammaS | -11 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 122211 | 458 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 524 | 458 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 46780481 | 107032 | 18 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | 3H-RAUWOLSCINE | -72 | 54 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| None | 214478 | 0 | 3H-RX821002 | 47 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 457 | 7 | 1 | 3 | 4.9 | CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C.Cl | None | ||
| 2803 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 484 | 2804 | 45 | 35S-GTPGammaS | -8 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2804 | 45 | 35S-GTPGammaS | -8 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2804 | 45 | 35S-GTPGammaS | -8 | 36 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 67409 | 214253 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | ||
| 8966 | 214253 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | ||
| None | 214254 | 0 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 200 | 3 | 1 | 1 | 2.8 | CC1=C(C(=CC=C1)C)CCC2=CN=CN2 | None | ||
| 4209 | 3102 | 71 | 3H-CLONIDINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | 3H-CLONIDINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | 3H-CLONIDINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | 3H-CLONIDINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | 3H-CLONIDINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | 3H-CLONIDINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 185 | 3931 | 54 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3931 | 54 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3931 | 54 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3931 | 54 | 3H-CLONIDINE | -4466 | 38 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 4209 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | 3H-RAUWOLSCINE | -177 | 34 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 68602 | 203406 | 72 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
| CHEMBL77921 | 203406 | 72 | 35S-GTPGammaS | -4 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
| 21830793 | 91389 | 5 | 3H-8-OH-DPAT | -102 | 46 | Bovine | 7.8 | pKi | = | 7.8 | 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 | -102 | 46 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 1223 | 938 | 32 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 103 | 4074 | 56 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | 3H-RAUWOLSCINE | -33 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 133621 | 1973 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
| 3470 | 1973 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
| CHEMBL347695 | 1973 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | ||
| 179 | 396 | 107 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 125I-Clonidine | -40 | 51 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 162265 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 213 | 3780 | 50 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 1524 | 2141 | 89 | 3H-RAUWOLSCINE | -123 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -123 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -123 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -123 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -123 | 52 | Human | 6.8 | pKi | = | 6.8 | 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 | -123 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3294 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 3294 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1967 | 106 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1028 | 287 | 69 | 35S-GTPGammaS | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | 35S-GTPGammaS | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | 35S-GTPGammaS | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | 35S-GTPGammaS | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | 35S-GTPGammaS | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | 35S-GTPGammaS | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 46780481 | 107032 | 18 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | 3H-CLONIDINE | -72 | 54 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 1830 | 2542 | 39 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 207 | 2542 | 39 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 23897 | 2542 | 39 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| CHEMBL460 | 2542 | 39 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| DB01618 | 2542 | 39 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 1816 | 2494 | 99 | 3H-RAUWOLSCINE | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 4205 | 2494 | 99 | 3H-RAUWOLSCINE | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 7241 | 2494 | 99 | 3H-RAUWOLSCINE | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| CHEMBL654 | 2494 | 99 | 3H-RAUWOLSCINE | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| DB00370 | 2494 | 99 | 3H-RAUWOLSCINE | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 11225732 | 93211 | 0 | UNDEFINED | 16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | ||
| CHEMBL246852 | 93211 | 0 | UNDEFINED | 16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | ||
| 3337 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 124 | 2921 | 44 | 3H-MK912 | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | 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-MK912 | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| None | 214476 | 0 | 3H-CLONIDINE | -27542 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 12575 | 1949 | 28 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 54459 | 1949 | 28 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| CHEMBL10316 | 1949 | 28 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 44438147 | 93043 | 0 | UNDEFINED | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | ||
| CHEMBL246228 | 93043 | 0 | UNDEFINED | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | ||
| 44438152 | 93162 | 0 | UNDEFINED | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | ||
| CHEMBL246639 | 93162 | 0 | UNDEFINED | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | ||
| 12575 | 1949 | 28 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 54459 | 1949 | 28 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| CHEMBL10316 | 1949 | 28 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 135 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2435 | 713 | 98 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 395 | 713 | 98 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 520 | 713 | 98 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 5386 | 713 | 98 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| CHEMBL844 | 713 | 98 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| DB00484 | 713 | 98 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 3337 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 12575 | 1949 | 28 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 54459 | 1949 | 28 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| CHEMBL10316 | 1949 | 28 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | ||
| 68602 | 203406 | 72 | 3H-RX821002 | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
| CHEMBL77921 | 203406 | 72 | 3H-RX821002 | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
| 123981 | 16267 | 20 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
| CHEMBL123349 | 16267 | 20 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
| CHEMBL536803 | 16267 | 20 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | ||
| 12576 | 511 | 87 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| 71310 | 511 | 87 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| CHEMBL353972 | 511 | 87 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| DB11481 | 511 | 87 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | ||
| 135398737 | 942 | 89 | 3H-RAUWOLSCINE | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 92 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 16725934 | 146878 | 0 | UNDEFINED | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | ||
| CHEMBL392992 | 146878 | 0 | UNDEFINED | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | ||
| 138107169 | 214163 | 0 | 3H-RAUWOLSCINE | -3 | 23 | North American opossum | 7.7 | pKi | = | 7.7 | 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 | -3 | 23 | North American opossum | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 2216 | 442 | 46 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| 229 | 442 | 46 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| 7117 | 442 | 46 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| CHEMBL647 | 442 | 46 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| DB00964 | 442 | 46 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| 135398745 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| None | 214356 | 0 | 3H-CLONIDINE | -2238 | 24 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
| 6917970 | 3622 | 54 | 3H-CLONIDINE | -48 | 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-CLONIDINE | -48 | 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-CLONIDINE | -48 | 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 | ||
| None | 214580 | 0 | 3H-RX821002 | -29 | 19 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 2695 | 3768 | 76 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 5504 | 3768 | 76 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 7310 | 3768 | 76 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| CHEMBL770 | 3768 | 76 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| DB00797 | 3768 | 76 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 2726 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 124 | 2921 | 44 | 35S-GTPGammaS | -57 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 2921 | 44 | 35S-GTPGammaS | -57 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 2921 | 44 | 35S-GTPGammaS | -57 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 2921 | 44 | 35S-GTPGammaS | -57 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 2921 | 44 | 35S-GTPGammaS | -57 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 3337 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-CLONIDINE | -13 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 1353 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 2142 | 3035 | 54 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | 35S-GTPGammaS | -7 | 37 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 104911 | 214239 | 0 | 3H-CLONIDINE | -10715 | 38 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
| 135 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 10297 | 26890 | 29 | 3H-CLONIDINE | 1 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 26890 | 29 | 3H-CLONIDINE | 1 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 5524 | 214707 | 0 | 35S-GTPGammaS | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
| 138107169 | 214163 | 0 | 3H-RAUWOLSCINE | -1 | 23 | Human | 7.6 | pKi | = | 7.6 | 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 | -1 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | ||
| 31101 | 719 | 39 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| 2337 | 3193 | 72 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 125I-Clonidine | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1212 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 135398745 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 162265 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 1212 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | 3H-CLONIDINE | -54 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 135398745 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-CLONIDINE | -30 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2142 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 2337 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-CLONIDINE | -10 | 63 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2181 | 3067 | 0 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | 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-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 102 | 4051 | 44 | 3H-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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-MK912 | -2 | 50 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| None | 214169 | 0 | 3H-MK912 | -4 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 2389 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 931 | 214706 | 0 | 35S-GTPGammaS | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 128 | 0 | 0 | 0 | 2.8 | C1=CC=C2C=CC=CC2=C1 | None | ||
| 44438168 | 93372 | 0 | UNDEFINED | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | ||
| CHEMBL247665 | 93372 | 0 | UNDEFINED | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | ||
| 115237 | 55281 | 113 | 3H-CLONIDINE | -29 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | 3H-CLONIDINE | -29 | 55 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 135 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 122211 | 458 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 524 | 458 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 4209 | 3102 | 71 | 35S-GTPGammaS | -177 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | 35S-GTPGammaS | -177 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | 35S-GTPGammaS | -177 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | 35S-GTPGammaS | -177 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | 35S-GTPGammaS | -177 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | 35S-GTPGammaS | -177 | 34 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 124 | 2921 | 44 | 3H-RAUWOLSCINE | -57 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -57 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -57 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -57 | 33 | Human | 7.5 | pKi | = | 7.5 | 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-RAUWOLSCINE | -57 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 122211 | 458 | 0 | 3H-MK912 | -9 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 524 | 458 | 0 | 3H-MK912 | -9 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| None | 214255 | 0 | 3H-RAUWOLSCINE | -5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 334 | 4 | 1 | 4 | 4.6 | CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl | None | ||
| 2142 | 3035 | 54 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | 3H-RAUWOLSCINE | -12 | 37 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 135398737 | 942 | 89 | 3H-CLONIDINE | -3 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 942 | 89 | 3H-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 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-CLONIDINE | -3 | 92 | Human | 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-RAUWOLSCINE | -3 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 3075702 | 215584 | 0 | 3H-RAUWOLSCINE | 1 | 37 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 1267 | 3732 | 43 | 3H-RAUWOLSCINE | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-RAUWOLSCINE | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-RAUWOLSCINE | -144 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 2337 | 3193 | 72 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-RAUWOLSCINE | -10 | 63 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 4209 | 3102 | 71 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | 3H-RAUWOLSCINE | -229 | 34 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 25058166 | 214171 | 0 | 3H-RX821002 | -18 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 6852389 | 214171 | 0 | 3H-RX821002 | -18 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 242 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 2726 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 242 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 2695 | 3768 | 76 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 5504 | 3768 | 76 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 7310 | 3768 | 76 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| CHEMBL770 | 3768 | 76 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| DB00797 | 3768 | 76 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 16362 | 3064 | 67 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 2172 | 3064 | 67 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 90 | 3064 | 67 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| CHEMBL1423 | 3064 | 67 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| DB01100 | 3064 | 67 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 242 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-CLONIDINE | -23 | 52 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 1343 | 1850 | 55 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 3519 | 1850 | 55 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 522 | 1850 | 55 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| CHEMBL862 | 1850 | 55 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| DB01018 | 1850 | 55 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 214 | 3787 | 52 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2740 | 3787 | 52 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5566 | 3787 | 52 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 66064 | 3787 | 52 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL422 | 3787 | 52 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00831 | 3787 | 52 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| None | 215906 | 0 | UNDEFINED | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.5 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| 135398737 | 942 | 89 | 3H-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 92 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 44438166 | 93371 | 0 | UNDEFINED | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | ||
| CHEMBL247664 | 93371 | 0 | UNDEFINED | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | ||
| 135 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 3652 | 45968 | 62 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| CHEMBL1535 | 45968 | 62 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| None | 214568 | 0 | 3H-CLONIDINE | -2 | 28 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| 11079 | 2683 | 59 | 35S-GTPGammaS | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 3369 | 2683 | 59 | 35S-GTPGammaS | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 4436 | 2683 | 59 | 35S-GTPGammaS | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 5509 | 2683 | 59 | 35S-GTPGammaS | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| CHEMBL761 | 2683 | 59 | 35S-GTPGammaS | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| DB06711 | 2683 | 59 | 35S-GTPGammaS | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 2726 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-RAUWOLSCINE | -26 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 6852400 | 214150 | 0 | 3H-RAUWOLSCINE | -104 | 22 | Human | 7.4 | pKi | = | 7.4 | 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-RAUWOLSCINE | -104 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | ||
| 104870 | 98410 | 39 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98410 | 39 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98410 | 39 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 122295 | 9760 | 6 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
| CHEMBL114166 | 9760 | 6 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | ||
| None | 214476 | 0 | 3H-CLONIDINE | -27542 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 3952 | 1849 | 33 | 35S-GTPGammaS | -13 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5353646 | 1849 | 33 | 35S-GTPGammaS | -13 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5443 | 1849 | 33 | 35S-GTPGammaS | -13 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5702063 | 1849 | 33 | 35S-GTPGammaS | -13 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL1331786 | 1849 | 33 | 35S-GTPGammaS | -13 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL420 | 1849 | 33 | 35S-GTPGammaS | -13 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 45266826 | 215944 | 0 | 3H-RAUWOLSCINE | -6 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 177 | 3 | 1 | 2 | 1.8 | CC1=CC=C(C=C1)C(=O)C(C)NC | None | ||
| 2435 | 3520 | 78 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 2435 | 3520 | 78 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3520 | 78 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3520 | 78 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3520 | 78 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3520 | 78 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3520 | 78 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3520 | 78 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3520 | 78 | 3H-CLONIDINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3520 | 78 | 3H-RAUWOLSCINE | -104 | 49 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 2726 | 904 | 64 | 3H-CLONIDINE | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-CLONIDINE | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-CLONIDINE | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-CLONIDINE | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-CLONIDINE | -26 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 68712 | 99861 | 57 | 35S-GTPGammaS | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
| CHEMBL289480 | 99861 | 57 | 35S-GTPGammaS | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
| 122211 | 458 | 0 | 3H-RAUWOLSCINE | -30 | 6 | North American opossum | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 524 | 458 | 0 | 3H-RAUWOLSCINE | -30 | 6 | North American opossum | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | ||
| 2719 | 902 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 5535 | 902 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 607 | 902 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| CHEMBL76 | 902 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| DB00608 | 902 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 164512323 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 6419959 | 214250 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | ||
| 2142 | 3035 | 54 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | 3H-RX821002 | -7 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5280805 | 84967 | 76 | None | -29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
| CHEMBL226335 | 84967 | 76 | None | -29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
| 135 | 2486 | 38 | 3H-RAUWOLSCINE | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2695 | 3768 | 76 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 5504 | 3768 | 76 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 7310 | 3768 | 76 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| CHEMBL770 | 3768 | 76 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| DB00797 | 3768 | 76 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 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 | ||
| 28417 | 39784 | 48 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| CHEMBL1479 | 39784 | 48 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| 448537 | 159691 | 86 | None | -21 | 25 | Human | 8.3 | pKi | = | 8.3 | 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 | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| 12574 | 2557 | 84 | None | -16 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
| 4810 | 2557 | 84 | None | -16 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
| CHEMBL19236 | 2557 | 84 | None | -16 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
| DB09242 | 2557 | 84 | None | -16 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | ||
| 11634155 | 190871 | 35 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 | None | ||
| 6018 | 190871 | 35 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 | None | ||
| CHEMBL519344 | 190871 | 35 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 | None | ||
| 2402 | 3306 | 58 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3306 | 58 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3306 | 58 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3306 | 58 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3306 | 58 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 104903 | 56035 | 14 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 3598 | 187228 | 73 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | ||
| 2803 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 939 | 53 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 11954259 | 214191 | 0 | 3H-CLONIDINE | -173 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 11954259 | 214191 | 0 | 3H-CLONIDINE | -173 | 44 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 119570 | 3098 | 90 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3098 | 90 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3098 | 90 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3098 | 90 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3098 | 90 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 100 | 3733 | 52 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | 3H-RAUWOLSCINE | -27 | 56 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1353 | 1872 | 85 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1353 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-CLONIDINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-RAUWOLSCINE | -87 | 86 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 4209 | 3102 | 71 | 3H-MK912 | -177 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | 3H-MK912 | -177 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | 3H-MK912 | -177 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | 3H-MK912 | -177 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | 3H-MK912 | -177 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | 3H-MK912 | -177 | 34 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 484 | 2804 | 45 | 35S-GTPGammaS | -8 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2804 | 45 | 35S-GTPGammaS | -8 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2804 | 45 | 35S-GTPGammaS | -8 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 2865 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 162265 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200578 | 19 | 3H-CLONIDINE | -8 | 45 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4158 | 203620 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL1722 | 203620 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL796 | 203620 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| 10836 | 14314 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| CHEMBL1201201 | 14314 | 13 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| 1836 | 2544 | 56 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 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 | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 2805 | 64 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 68617 | 203806 | 60 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | 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 | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | 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 | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 2406 | 99925 | 84 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
| CHEMBL290106 | 99925 | 84 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | ||
| 5353853 | 17788 | 41 | None | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 3561 | 18871 | 34 | None | -2 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
| CHEMBL1289 | 18871 | 34 | None | -2 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | ||
| 237 | 203147 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL546257 | 203147 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL554190 | 203147 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL7568 | 203147 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| 2600 | 3708 | 73 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | 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 | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 2342 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
| 331 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
| 7124 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
| CHEMBL1201250 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
| DB00767 | 592 | 0 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | ||
| 1353 | 1872 | 85 | None | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | -87 | 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 | ||
| 657255 | 197396 | 29 | None | -8 | 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 | -8 | 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 | ||
| 1443 | 1989 | 30 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 33625 | 1989 | 30 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 501 | 1989 | 30 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL279516 | 1989 | 30 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| DB08950 | 1989 | 30 | None | -11 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 191 | 399 | 92 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 201 | 399 | 92 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2170 | 399 | 92 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| CHEMBL1113 | 399 | 92 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| DB00543 | 399 | 92 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 60838 | 183282 | 95 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | ||
| CHEMBL481 | 183282 | 95 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | ||
| 463 | 1373 | 17 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 6918097 | 1373 | 17 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 837 | 1373 | 17 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL2051956 | 1373 | 17 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| DB14068 | 1373 | 17 | None | -48 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 33630 | 178369 | 94 | None | -9 | 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 | -9 | 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 | ||
| 2435 | 3520 | 78 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3520 | 78 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3520 | 78 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3520 | 78 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3520 | 78 | None | -104 | 49 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 4011 | 81982 | 43 | None | -28 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 81982 | 43 | None | -28 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 11079 | 2683 | 59 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 3369 | 2683 | 59 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 4436 | 2683 | 59 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 5509 | 2683 | 59 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| CHEMBL761 | 2683 | 59 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| DB06711 | 2683 | 59 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | ||
| 214 | 3787 | 52 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2740 | 3787 | 52 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5566 | 3787 | 52 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 66064 | 3787 | 52 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL422 | 3787 | 52 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00831 | 3787 | 52 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 16362 | 3064 | 67 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 2172 | 3064 | 67 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 90 | 3064 | 67 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| CHEMBL1423 | 3064 | 67 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| DB01100 | 3064 | 67 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 1028 | 287 | 69 | None | -52 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | None | -52 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | None | -52 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | None | -52 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | None | -52 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | None | -52 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 2286 | 3122 | 48 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3122 | 48 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3122 | 48 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3122 | 48 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3122 | 48 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 2247 | 502 | 77 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2335 | 11728 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 8478 | 11728 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL1182210 | 11728 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL221753 | 11728 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 2181 | 3067 | 0 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | 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 | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 3157 | 1437 | 69 | None | -39 | 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 | -39 | 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 | -39 | 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 | -39 | 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 | -39 | 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 | ||
| 11057 | 175565 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 3468 | 175565 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL459265 | 175565 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL64894 | 175565 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 5524 | 214707 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | ||
| 2162 | 41258 | 97 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
| CHEMBL1491 | 41258 | 97 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
| 3168 | 9157 | 84 | None | -63 | 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 | -63 | 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 | ||
| 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 | ||
| 2801 | 161313 | 56 | None | -4 | 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 | -4 | 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 | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| 104870 | 98410 | 39 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98410 | 39 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98410 | 39 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 66265 | 93566 | 12 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 277 | 1269 | 55 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | None | -42 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1830 | 2542 | 39 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 207 | 2542 | 39 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 23897 | 2542 | 39 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| CHEMBL460 | 2542 | 39 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| DB01618 | 2542 | 39 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 5472 | 204094 | 69 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
| CHEMBL1717 | 204094 | 69 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
| CHEMBL833 | 204094 | 69 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | ||
| 3952 | 1849 | 33 | None | -13 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5353646 | 1849 | 33 | None | -13 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5443 | 1849 | 33 | None | -13 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5702063 | 1849 | 33 | None | -13 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL1331786 | 1849 | 33 | None | -13 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL420 | 1849 | 33 | None | -13 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 213 | 3780 | 50 | None | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | ||
| 3151 | 1429 | 93 | None | -40 | 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 | -40 | 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 | -40 | 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 | -40 | 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 | -40 | 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 | ||
| 3584 | 3706 | 60 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 5401 | 3706 | 60 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 7302 | 3706 | 60 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| CHEMBL611 | 3706 | 60 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| DB01162 | 3706 | 60 | None | -50 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 3658 | 4032 | 47 | None | -11 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 517 | 4032 | 47 | None | -11 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 5709 | 4032 | 47 | None | -11 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| CHEMBL312448 | 4032 | 47 | None | -11 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| DB06694 | 4032 | 47 | None | -11 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 240 | 929 | 39 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | ||
| 2351 | 3222 | 60 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | ||
| 1576 | 214565 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| 1222 | 1626 | 44 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3396 | 1626 | 44 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 85 | 1626 | 44 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL46516 | 1626 | 44 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| DB04842 | 1626 | 44 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 103 | 4074 | 56 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | 3H-CLONIDINE | -33 | 54 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2803 | 939 | 53 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 939 | 53 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 939 | 53 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 939 | 53 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 939 | 53 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 15897 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 2105 | 2993 | 34 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | 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-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 2202 | 3071 | 91 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 3071 | 91 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 3071 | 91 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 3071 | 91 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 3071 | 91 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 11141 | 342 | 52 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
| 120 | 342 | 52 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
| 135413504 | 342 | 52 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
| 43008 | 342 | 52 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
| CHEMBL290194 | 342 | 52 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
| DB01425 | 342 | 52 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | ||
| 1547484 | 925 | 70 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | ||
| 103 | 4074 | 56 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 209 | 2996 | 94 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2113 | 2996 | 94 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4748 | 2996 | 94 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL567 | 2996 | 94 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00850 | 2996 | 94 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2726 | 904 | 64 | None | -26 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | None | -26 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | None | -26 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | None | -26 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | None | -26 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1613 | 2306 | 44 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 2865 | 4064 | 67 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 100 | 3733 | 52 | None | -27 | 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 | -27 | 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 | -27 | 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 | -27 | 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 | -27 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1593 | 2298 | 60 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
| 30668 | 2298 | 60 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
| 9868 | 2298 | 60 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
| CHEMBL17860 | 2298 | 60 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
| DB04948 | 2298 | 60 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 2805 | 64 | None | -12 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 2105 | 2993 | 34 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 2202 | 3071 | 91 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 3071 | 91 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 3071 | 91 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 3071 | 91 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 3071 | 91 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 441383 | 20118 | 54 | None | 2 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL1306 | 20118 | 54 | None | 2 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 1222 | 1626 | 44 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 1201549 | 590 | 22 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | 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 | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 212 | 3734 | 43 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 3734 | 43 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 3734 | 43 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 3734 | 43 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 3734 | 43 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 3191 | 102372 | 93 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | 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 | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 228 | 441 | 26 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 33 | 441 | 26 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 6005 | 441 | 26 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| CHEMBL53 | 441 | 26 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| DB00714 | 441 | 26 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 242 | 467 | 117 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | None | -23 | 52 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 2284 | 3121 | 27 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3121 | 27 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3121 | 27 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3121 | 27 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3121 | 27 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 12488 | 1619 | 51 | None | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 2216 | 442 | 46 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| 229 | 442 | 46 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| 7117 | 442 | 46 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| CHEMBL647 | 442 | 46 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| DB00964 | 442 | 46 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | ||
| 4543 | 169972 | 36 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169972 | 36 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169972 | 36 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 1212 | 1624 | 45 | None | -54 | 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 | -54 | 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 | -54 | 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 | -54 | 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 | -54 | 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 | ||
| 135398745 | 2858 | 108 | None | -30 | 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 | -30 | 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 | -30 | 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 | -30 | 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 | ||
| 3389 | 215972 | 0 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 133 | 2450 | 48 | None | -26 | 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 | -26 | 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 | -26 | 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 | -26 | 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 | -26 | 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 | ||
| 10219 | 188200 | 30 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
| CHEMBL493439 | 188200 | 30 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
| CHEMBL50588 | 188200 | 30 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
| 31101 | 719 | 39 | None | -36 | 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 | -36 | 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 | -36 | 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 | -36 | 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 | -36 | 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 | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 37 | 764 | 56 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | ||
| 1816 | 2494 | 99 | None | -28 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 4205 | 2494 | 99 | None | -28 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 7241 | 2494 | 99 | None | -28 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| CHEMBL654 | 2494 | 99 | None | -28 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| DB00370 | 2494 | 99 | None | -28 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 3294 | 1967 | 106 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1967 | 106 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1967 | 106 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1967 | 106 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1967 | 106 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 26987 | 934 | 29 | None | -107 | 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 | -107 | 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 | -107 | 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 | -107 | 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 | -107 | 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 | ||
| 2585 | 788 | 100 | None | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 68712 | 99861 | 57 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
| CHEMBL289480 | 99861 | 57 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
| 2274 | 3112 | 53 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 213046 | 2343 | 55 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
| 4168 | 2343 | 55 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
| 7461 | 2343 | 55 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
| CHEMBL1237021 | 2343 | 55 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
| DB08815 | 2343 | 55 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | ||
| 25137849 | 214415 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 214415 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 124 | 2921 | 44 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | 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-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 100 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 100 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | 3H-CLONIDINE | -27 | 56 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2683 | 3762 | 57 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 5487 | 3762 | 57 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 7308 | 3762 | 57 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| CHEMBL1079 | 3762 | 57 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| DB00697 | 3762 | 57 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| None | 214564 | 0 | 3H-CLONIDINE | 1 | 41 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 2865 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 2865 | 4064 | 67 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-CLONIDINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-RAUWOLSCINE | -64 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 1613 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 11750482 | 146876 | 0 | UNDEFINED | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | ||
| CHEMBL392991 | 146876 | 0 | UNDEFINED | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | ||
| 180 | 397 | 50 | None | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 129211 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 2562 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 488 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| CHEMBL836 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| DB00706 | 3680 | 75 | None | -51 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 6761 | 67442 | 17 | None | -3 | 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 | -3 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| 115237 | 55281 | 113 | None | -29 | 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 | -29 | 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 | ||
| 134551 | 355 | 25 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2389 | 3267 | 114 | None | -12 | 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 | -12 | 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 | -12 | 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 | -12 | 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 | -12 | 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 | ||
| 135398737 | 942 | 89 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 11954224 | 214164 | 0 | None | -4168 | 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 | ||
| 10531 | 1387 | 18 | None | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | ||
| 1613 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | 3H-CLONIDINE | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 10836 | 14314 | 13 | 3H-CLONIDINE | -1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| CHEMBL1201201 | 14314 | 13 | 3H-CLONIDINE | -1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | ||
| 135398745 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-RAUWOLSCINE | -30 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 209 | 2996 | 94 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2113 | 2996 | 94 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4748 | 2996 | 94 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL567 | 2996 | 94 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00850 | 2996 | 94 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4158 | 203620 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL1722 | 203620 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL796 | 203620 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| 134 | 2468 | 19 | 3H-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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-CLONIDINE | -21 | 68 | Human | 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 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -57 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -57 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -57 | 33 | Human | 8.1 | pKi | = | 8.1 | 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 | -57 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| None | 214569 | 0 | UNDEFINED | -8 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| 2601 | 3709 | 30 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | 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 | 3H-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 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-RAUWOLSCINE | -3 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2389 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-RAUWOLSCINE | -12 | 68 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 1588 | 2284 | 24 | None | -4 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 44 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 11978813 | 712 | 72 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 5014 | 712 | 72 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 7672 | 712 | 72 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| CHEMBL2105760 | 712 | 72 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| DB09128 | 712 | 72 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | -2 | 50 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 521 | 1372 | 64 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 5311068 | 1372 | 64 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 835 | 1372 | 64 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| CHEMBL778 | 1372 | 64 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| DB00633 | 1372 | 64 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 44438161 | 146596 | 0 | UNDEFINED | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | ||
| CHEMBL392771 | 146596 | 0 | UNDEFINED | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | ||
| 44438165 | 166220 | 0 | UNDEFINED | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | ||
| CHEMBL428407 | 166220 | 0 | UNDEFINED | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | ||
| 44438148 | 93044 | 0 | UNDEFINED | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | ||
| CHEMBL246229 | 93044 | 0 | UNDEFINED | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | ||
| 2142 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3035 | 54 | 3H-RAUWOLSCINE | -7 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 15897 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 68602 | 203406 | 72 | 35S-GTPGammaS | -4 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
| CHEMBL77921 | 203406 | 72 | 35S-GTPGammaS | -4 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | ||
| 15897 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-CLONIDINE | -29 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 104870 | 98410 | 39 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98410 | 39 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98410 | 39 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| None | 214569 | 0 | 3H-CLONIDINE | -8 | 28 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| 1593 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
| 30668 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
| 9868 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
| CHEMBL17860 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
| DB04948 | 2298 | 60 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | ||
| 1816 | 2494 | 99 | None | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
| 4205 | 2494 | 99 | None | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
| 7241 | 2494 | 99 | None | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
| CHEMBL654 | 2494 | 99 | None | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
| DB00370 | 2494 | 99 | None | -28 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | ||
| 2695 | 3768 | 76 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
| 5504 | 3768 | 76 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
| 7310 | 3768 | 76 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
| CHEMBL770 | 3768 | 76 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
| DB00797 | 3768 | 76 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | ||
| 1343 | 1850 | 55 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
| 3519 | 1850 | 55 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
| 522 | 1850 | 55 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
| CHEMBL862 | 1850 | 55 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
| DB01018 | 1850 | 55 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | ||
| 1028 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 1028 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 139148732 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 139148732 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 479 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 479 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 5816 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 5816 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| CHEMBL679 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| CHEMBL679 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| DB00668 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| DB00668 | 287 | 69 | None | -52 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 4508 | 3078 | 91 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
| 4866774 | 3078 | 91 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
| 509 | 3078 | 91 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
| 838 | 3078 | 91 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
| CHEMBL1740 | 3078 | 91 | None | -199 | 13 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 1960 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 439260 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
| 505 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 505 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 505 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| 505 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| CHEMBL1437 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | ||
| DB00368 | 2805 | 64 | None | -12 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
| 2435 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
| 395 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
| 520 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
| 5386 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
| CHEMBL844 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | ||
| DB00484 | 713 | 98 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
| 124 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
| 2032 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
| 4636 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
| CHEMBL762 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | ||
| DB00935 | 2921 | 44 | None | -57 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | ||
| 12575 | 1949 | 28 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
| 54459 | 1949 | 28 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
| CHEMBL10316 | 1949 | 28 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
| 4209 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
| 4893 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
| 503 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
| 5385 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
| CHEMBL2 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | ||
| DB00457 | 3102 | 71 | None | -177 | 34 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | ||
| 2216 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
| 2216 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
| 229 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
| 229 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
| 7117 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
| 7117 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
| CHEMBL647 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
| CHEMBL647 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
| DB00964 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | ||
| DB00964 | 442 | 46 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | ||
| 122211 | 458 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | ||
| 122211 | 458 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | ||
| 122211 | 458 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | ||
| 524 | 458 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | ||
| 524 | 458 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | ||
| 524 | 458 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | ||
| 2741 | 347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | ||
| 6437063 | 347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | ||
| CHEMBL104049 | 347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | ||
| 11959 | 1501 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 405 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl | 22824189 | ||
| 9909267 | 1501 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 405 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl | 22824189 | ||
| 213046 | 2343 | 55 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
| 4168 | 2343 | 55 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
| 7461 | 2343 | 55 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
| CHEMBL1237021 | 2343 | 55 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
| DB08815 | 2343 | 55 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | ||
| 521 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 521 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
| 521 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
| 521 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
| 5311068 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 5311068 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
| 5311068 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
| 5311068 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
| 835 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 835 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
| 835 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
| 835 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
| CHEMBL778 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| CHEMBL778 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
| CHEMBL778 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
| CHEMBL778 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
| DB00633 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| DB00633 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | ||
| DB00633 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | ||
| DB00633 | 1372 | 64 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | ||
| 108094 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 17220913 | ||
| 108094 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
| 108094 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
| 526 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 17220913 | ||
| 526 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
| 526 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
| 528 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 17220913 | ||
| 528 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
| 528 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
| CHEMBL10332 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 17220913 | ||
| CHEMBL10332 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | ||
| CHEMBL10332 | 3356 | 22 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | ||
| 12576 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
| 71310 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
| CHEMBL353972 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
| DB11481 | 511 | 87 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | ||
| 499 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
| 499 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | ||
| 499 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
| 499 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
| 5685 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
| 5685 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | ||
| 5685 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
| 5685 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
| CHEMBL25554 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | ||
| CHEMBL25554 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | ||
| CHEMBL25554 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | ||
| CHEMBL25554 | 4002 | 15 | None | -4 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | ||
| 5268 | 3586 | 34 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | ||
| 5268 | 3586 | 34 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
| 53 | 3586 | 34 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | ||
| 53 | 3586 | 34 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
| CHEMBL300555 | 3586 | 34 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | ||
| CHEMBL300555 | 3586 | 34 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
| 102 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
| 3659 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
| 8969 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
| CHEMBL15245 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 1353247 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 35224877 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7908642 | ||
| DB01392 | 4051 | 44 | None | -2 | 50 | Human | 9.0 | pKi | = | 9 | 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 | 7996470 | ||
| 1588 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | ||
| 1588 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
| 1588 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
| 28864 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
| 28864 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
| 43 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
| 43 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
| CHEMBL157138 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
| CHEMBL157138 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
| DB00589 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 35224877 | ||
| DB00589 | 2284 | 24 | None | -4 | 44 | Human | 9.6 | pKi | = | 9.6 | 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 | 9227000 | ||
| 12577 | 2516 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | ||
| 189711 | 2516 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | ||
| CHEMBL1257057 | 2516 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | ||
| 179 | 396 | 107 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | None | -40 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 162265 | 200578 | 19 | None | -8 | 45 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200578 | 19 | None | -8 | 45 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200578 | 19 | None | -8 | 45 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 3337 | 214431 | 0 | None | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 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 | ||
| 134 | 2468 | 19 | None | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | -21 | 68 | Human | 8.2 | pKi | None | 8.2 | 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 | ||
| 119570 | 3098 | 90 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3098 | 90 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3098 | 90 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3098 | 90 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3098 | 90 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 46780481 | 107032 | 18 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | None | -72 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 523 | 4031 | 90 | None | -2 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
| 5707 | 4031 | 90 | None | -2 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
| CHEMBL297362 | 4031 | 90 | None | -2 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
| DB11477 | 4031 | 90 | None | -2 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | ||
| 121850 | 716 | 0 | None | -38 | 3 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
| 525 | 716 | 0 | None | -38 | 3 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
| CHEMBL216097 | 716 | 0 | None | -38 | 3 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
| 2803 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
| 516 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
| 704 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
| CHEMBL134 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | ||
| DB00575 | 939 | 53 | None | -4 | 19 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | ||
| 2726 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
| 2726 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
| 621 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
| 621 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
| 83 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
| 83 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
| CHEMBL71 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
| CHEMBL71 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
| DB00477 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | ||
| DB00477 | 904 | 64 | None | -26 | 73 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | ||
| 2105 | 2993 | 34 | None | -81 | 33 | Human | 7.2 | pKi | None | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | None | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | None | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | None | 7.2 | 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 | -81 | 33 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 2202 | 3071 | 91 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 4850 | 3071 | 91 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 49 | 3071 | 91 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| CHEMBL1371770 | 3071 | 91 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| DB12478 | 3071 | 91 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 228 | 441 | 26 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 33 | 441 | 26 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 6005 | 441 | 26 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| CHEMBL53 | 441 | 26 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| DB00714 | 441 | 26 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 31101 | 719 | 39 | None | -36 | 36 | Human | 7.6 | pKi | None | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | None | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | None | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | None | 7.6 | 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 | -36 | 36 | Human | 7.6 | pKi | None | 7.6 | 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 | ||
| 37 | 764 | 56 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | 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 | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
| 2142 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
| 4920903 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
| 502 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
| 5775 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
| CHEMBL597 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | ||
| DB00692 | 3035 | 54 | None | -7 | 37 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | ||
| 219050 | 3309 | 21 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| 52 | 3309 | 21 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| CHEMBL431367 | 3309 | 21 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| 136 | 3228 | 28 | None | 3 | 16 | Human | 9.1 | pKi | None | 9.1 | 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 | 7996470 | ||
| 223 | 3228 | 28 | None | 3 | 16 | Human | 9.1 | pKi | None | 9.1 | 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 | 7996470 | ||
| 643606 | 3228 | 28 | None | 3 | 16 | Human | 9.1 | pKi | None | 9.1 | 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 | 7996470 | ||
| CHEMBL10347 | 3228 | 28 | None | 3 | 16 | Human | 9.1 | pKi | None | 9.1 | 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 | 7996470 | ||
| 2601 | 3709 | 30 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | 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 | ||