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 |
| 155524115 | 175963 | 0 | None | -1 | 3 | Rat | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | -1 | 3 | Rat | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | -1 | 3 | Rat | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155524115 | 175963 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | 1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155524115 | 175963 | 0 | None | -4 | 3 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | -4 | 3 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | -4 | 3 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 46235428 | 6511 | 0 | None | 263 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083162 | 6511 | 0 | None | 263 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 58227401 | 175867 | 0 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 58227401 | 175867 | 0 | None | -2 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | -2 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | -2 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -18 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -18 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -18 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -18 | 3 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 51354300 | 58566 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 273 | 6 | 1 | 4 | 2.8 | c1nc(CCCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688946 | 58566 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 273 | 6 | 1 | 4 | 2.8 | c1nc(CCCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 155491015 | 175911 | 3 | None | -10 | 4 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4441731 | 175911 | 3 | None | -10 | 4 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4596734 | 175911 | 3 | None | -10 | 4 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| 155513612 | 175736 | 0 | None | -14 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -14 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -14 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -14 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 58227401 | 175867 | 0 | None | -2 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | -2 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | -2 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 45257132 | 3613 | 3 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 8983 | 3613 | 3 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595180 | 3613 | 3 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 155552061 | 175894 | 0 | None | 2 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | 2 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | 2 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155517880 | 176083 | 0 | None | 2 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | 2 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | 2 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 45257132 | 3613 | 3 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 8983 | 3613 | 3 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595180 | 3613 | 3 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 58227373 | 175924 | 0 | None | -1 | 3 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | -1 | 3 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | -1 | 3 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | 14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 136030655 | 56173 | 0 | None | 1 | 3 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632413 | 56173 | 0 | None | 1 | 3 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136030655 | 56173 | 0 | None | -1 | 3 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632413 | 56173 | 0 | None | -1 | 3 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25068753 | 187844 | 15 | None | -1 | 2 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL502347 | 187844 | 15 | None | -1 | 2 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 10105117 | 103705 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | CC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL309819 | 103705 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | CC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 127051301 | 139657 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804906 | 139657 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 136141537 | 56172 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632412 | 56172 | 1 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| 4024 | 1976 | 14 | None | -3388 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 9989505 | 1976 | 14 | None | -3388 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL82298 | 1976 | 14 | None | -3388 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 58227259 | 116627 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393556 | 116627 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1194 | 46 | 3 | None | -50 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 10.1016/j.bmcl.2010.10.041 | ||
| 23786499 | 46 | 3 | None | -50 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL26116 | 46 | 3 | None | -50 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 10.1016/j.bmcl.2010.10.041 | ||
| 24797598 | 61218 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1771001 | 61218 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 11846299 | 138677 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL378788 | 138677 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1 | 10.1021/jm051008s | ||
| 46228114 | 198482 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 314 | 4 | 3 | 7 | 1.1 | CN1CCN(c2cc(NCc3ccc(O)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL596551 | 198482 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 314 | 4 | 3 | 7 | 1.1 | CN1CCN(c2cc(NCc3ccc(O)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 25130576 | 187033 | 1 | None | 2 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| CHEMBL494890 | 187033 | 1 | None | 2 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| 25130232 | 186970 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 273 | 2 | 1 | 7 | 0.2 | CN1CCN(c2cc(-c3cn(C)cn3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494576 | 186970 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 273 | 2 | 1 | 7 | 0.2 | CN1CCN(c2cc(-c3cn(C)cn3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25131229 | 187002 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1021/jm8005959 | ||
| CHEMBL494724 | 187002 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1021/jm8005959 | ||
| 25130576 | 187033 | 1 | None | 2 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| CHEMBL494890 | 187033 | 1 | None | 2 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| 11846635 | 78255 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 307 | 0 | 0 | 4 | 3.4 | Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C)CC1)=N2 | 10.1021/jm051008s | ||
| CHEMBL211242 | 78255 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 307 | 0 | 0 | 4 | 3.4 | Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C)CC1)=N2 | 10.1021/jm051008s | ||
| 46228132 | 200450 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL609161 | 200450 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| 25129178 | 187036 | 1 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 223 | 2 | 1 | 6 | -0.2 | COc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL494910 | 187036 | 1 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 223 | 2 | 1 | 6 | -0.2 | COc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm900526h | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm900526h | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm900526h | ||
| 44480708 | 5683 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078632 | 5683 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm900526h | ||
| 53233804 | 61182 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 275 | 3 | 2 | 5 | 1.8 | CN1CCN(c2cc(N)nc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770966 | 61182 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 275 | 3 | 2 | 5 | 1.8 | CN1CCN(c2cc(N)nc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 127052293 | 139695 | 1 | None | 10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | 10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 45257131 | 198216 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594731 | 198216 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| 56593499 | 139699 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 368 | 6 | 3 | 4 | 3.2 | N#C/N=C(/NCCSc1ccccc1)N[C@H]1CC[C@@H](c2c[nH]cn2)CC1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805392 | 139699 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 368 | 6 | 3 | 4 | 3.2 | N#C/N=C(/NCCSc1ccccc1)N[C@H]1CC[C@@H](c2c[nH]cn2)CC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 127050776 | 139704 | 0 | None | 3 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805437 | 139704 | 0 | None | 3 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 127050431 | 139772 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806206 | 139772 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 58227165 | 116607 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 235 | 3 | 1 | 5 | 1.0 | CC(C)Nc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393536 | 116607 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 235 | 3 | 1 | 5 | 1.0 | CC(C)Nc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 25130578 | 186740 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 251 | 4 | 1 | 5 | 1.4 | CN(C)CCN(C)c1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL493099 | 186740 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 251 | 4 | 1 | 5 | 1.4 | CN(C)CCN(C)c1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| 25129525 | 186990 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| CHEMBL494648 | 186990 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| 25128833 | 187808 | 30 | None | -2 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 1 | 1 | 5 | -0.2 | CN1CCN(c2ccnc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL501882 | 187808 | 30 | None | -2 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 1 | 1 | 5 | -0.2 | CN1CCN(c2ccnc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25128831 | 172034 | 0 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 277 | 2 | 0 | 5 | 1.6 | CN1CCN(c2cc(C(C)(C)C)nc(N(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL449157 | 172034 | 0 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 277 | 2 | 0 | 5 | 1.6 | CN1CCN(c2cc(C(C)(C)C)nc(N(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| 11043445 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL1632410 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 16061839 | 187824 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 284 | 3 | 2 | 6 | 1.6 | CN1CCN(c2cc(Nc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL502104 | 187824 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 284 | 3 | 2 | 6 | 1.6 | CN1CCN(c2cc(Nc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 127050431 | 139772 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806206 | 139772 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 54585780 | 61214 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 250 | 3 | 2 | 6 | 0.6 | CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770998 | 61214 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 250 | 3 | 2 | 6 | 0.6 | CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 25130914 | 186661 | 0 | None | 15 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL492677 | 186661 | 0 | None | 15 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| 11957573 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm100064d | ||
| 1250 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm100064d | ||
| 3692 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm100064d | ||
| CHEMBL19439 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm100064d | ||
| 11957573 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1250 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 3692 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL19439 | 1971 | 29 | None | -54 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1253 | 2019 | 7 | None | -251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 132937 | 2019 | 7 | None | -251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL19010 | 2019 | 7 | None | -251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10176414 | 3988 | 13 | None | -25 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1246 | 3988 | 13 | None | -25 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL281576 | 3988 | 13 | None | -25 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 44482032 | 5640 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 262 | 7 | 3 | 3 | 1.4 | CC(C)CN/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078346 | 5640 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 262 | 7 | 3 | 3 | 1.4 | CC(C)CN/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 25130581 | 186632 | 0 | None | 3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 264 | 2 | 0 | 5 | 1.5 | COc1nc(N2CCN(C)CC2)cc(C(C)(C)C)n1 | 10.1021/jm8005959 | ||
| CHEMBL492489 | 186632 | 0 | None | 3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 264 | 2 | 0 | 5 | 1.5 | COc1nc(N2CCN(C)CC2)cc(C(C)(C)C)n1 | 10.1021/jm8005959 | ||
| 44482029 | 5545 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 325 | 9 | 3 | 4 | 1.8 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1cccnc1 | 10.1021/jm900526h | ||
| CHEMBL1077737 | 5545 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 325 | 9 | 3 | 4 | 1.8 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1cccnc1 | 10.1021/jm900526h | ||
| 25131234 | 187069 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccccc3C#N)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL495083 | 187069 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccccc3C#N)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | 4 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494678 | 186994 | 1 | None | 4 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | 4 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL494678 | 186994 | 1 | None | 4 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 25130234 | 186810 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 277 | 2 | 2 | 6 | -0.7 | CN1CCN(c2cc(N3CCNC3=O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493663 | 186810 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 277 | 2 | 2 | 6 | -0.7 | CN1CCN(c2cc(N3CCNC3=O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 127051986 | 139761 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 350 | 7 | 3 | 3 | 2.9 | N#C/N=C(/NCCCc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806098 | 139761 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 350 | 7 | 3 | 3 | 2.9 | N#C/N=C(/NCCCc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 51354301 | 58569 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL1688969 | 58569 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/acs.jmedchem.8b00435 | ||
| 10934158 | 108077 | 1 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL320331 | 108077 | 1 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10017821 | 103297 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 302 | 8 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL308913 | 103297 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 302 | 8 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1238 | 2043 | 11 | None | -1258 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 6603865 | 2043 | 11 | None | -1258 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL11919 | 2043 | 11 | None | -1258 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 11043445 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632410 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10945113 | 109128 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL322256 | 109128 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44480707 | 5671 | 0 | None | 5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078529 | 5671 | 0 | None | 5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| 10945113 | 109128 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL322256 | 109128 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 127052294 | 139759 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806079 | 139759 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2009.08.059 | ||
| 10934158 | 108077 | 1 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL320331 | 108077 | 1 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 25129182 | 186690 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 291 | 2 | 1 | 7 | -0.4 | CN1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492869 | 186690 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 291 | 2 | 1 | 7 | -0.4 | CN1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 127052293 | 139695 | 1 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 11846634 | 77640 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL209758 | 77640 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| 11846464 | 78036 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL211170 | 78036 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1 | 10.1021/jm051008s | ||
| 25071319 | 188464 | 8 | None | 1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL509540 | 188464 | 8 | None | 1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 44482030 | 5584 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 338 | 9 | 3 | 3 | 2.9 | CC(CCN/C(=N\C#N)NCCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1077860 | 5584 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 338 | 9 | 3 | 3 | 2.9 | CC(CCN/C(=N\C#N)NCCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm900526h | ||
| 25131561 | 186811 | 0 | None | -3 | 2 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 286 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493664 | 186811 | 0 | None | -3 | 2 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 286 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 135897837 | 187035 | 12 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 209 | 1 | 2 | 6 | -0.5 | CN1CCN(c2cc(O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494909 | 187035 | 12 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 209 | 1 | 2 | 6 | -0.5 | CN1CCN(c2cc(O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 127048828 | 139777 | 0 | None | 38 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 288 | 5 | 3 | 3 | 2.0 | CC(C)CN/C(=N/C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806255 | 139777 | 0 | None | 38 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 288 | 5 | 3 | 3 | 2.0 | CC(C)CN/C(=N/C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 58227255 | 116610 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393539 | 116610 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 44568832 | 186590 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 306 | 2 | 1 | 6 | 1.2 | CN1CCN(c2cc(-c3ccc(F)nc3F)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492242 | 186590 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 306 | 2 | 1 | 6 | 1.2 | CN1CCN(c2cc(-c3ccc(F)nc3F)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25128822 | 186888 | 0 | None | 19 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1021/jm800670r | ||
| CHEMBL494093 | 186888 | 0 | None | 19 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1021/jm800670r | ||
| 1251 | 1975 | 34 | None | -204 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm100064d | ||
| 3035842 | 1975 | 34 | None | -204 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm100064d | ||
| CHEMBL18661 | 1975 | 34 | None | -204 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm100064d | ||
| 1251 | 1975 | 34 | None | -204 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 3035842 | 1975 | 34 | None | -204 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL18661 | 1975 | 34 | None | -204 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25149712 | 178398 | 0 | None | -6 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL470790 | 178398 | 0 | None | -6 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25149335 | 183633 | 0 | None | -6 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL483406 | 183633 | 0 | None | -6 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 127048890 | 139752 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.3 | NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805995 | 139752 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.3 | NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 46890548 | 6491 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 410 | 7 | 1 | 4 | 4.4 | Cc1cc(OCCCN2CCC(N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083084 | 6491 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 410 | 7 | 1 | 4 | 4.4 | Cc1cc(OCCCN2CCC(N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 44481761 | 5682 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078631 | 5682 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1ccccc1 | 10.1021/jm900526h | ||
| 51354301 | 58569 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688969 | 58569 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 155513612 | 175736 | 0 | None | -18 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -18 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -18 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -18 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1204 | 1893 | 114 | None | -97 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -97 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -97 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -97 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -97 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -97 | 11 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1248 | 1391 | 27 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 3077 | 1391 | 27 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 90045 | 1391 | 27 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12344 | 1391 | 27 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 5310982 | 93166 | 4 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 3 | 2 | 2 | 2.6 | NCCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL24665 | 93166 | 4 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 255 | 3 | 2 | 2 | 2.6 | NCCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1269 | 121 | 33 | None | -35 | 6 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | -35 | 6 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | -35 | 6 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 53233802 | 61203 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770987 | 61203 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25131559 | 186992 | 0 | None | 23 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 259 | 2 | 2 | 6 | 0.2 | CN1CCN(c2cc(-c3c[nH]cn3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494667 | 186992 | 0 | None | 23 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 259 | 2 | 2 | 6 | 0.2 | CN1CCN(c2cc(-c3c[nH]cn3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 44480959 | 5585 | 2 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 206 | 5 | 3 | 3 | 0.1 | N#C/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1077861 | 5585 | 2 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 206 | 5 | 3 | 3 | 0.1 | N#C/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 1484519 | 173314 | 52 | None | - | 1 | Rat | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 227 | 1 | 1 | 5 | 0.5 | CN1CCN(c2cc(Cl)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL454007 | 173314 | 52 | None | - | 1 | Rat | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 227 | 1 | 1 | 5 | 0.5 | CN1CCN(c2cc(Cl)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 21638785 | 188063 | 4 | None | 1 | 2 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| CHEMBL503605 | 188063 | 4 | None | 1 | 2 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| 127051958 | 139735 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.3 | NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805813 | 139735 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 165 | 2 | 2 | 2 | 1.3 | NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25129880 | 192518 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 2.6 | CN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL522841 | 192518 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 2.6 | CN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130231 | 187111 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 309 | 2 | 1 | 7 | 1.2 | CN1CCN(c2cc(-n3cnc4ccccc43)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL495280 | 187111 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 309 | 2 | 1 | 7 | 1.2 | CN1CCN(c2cc(-n3cnc4ccccc43)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25131228 | 187001 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 1.8 | Cc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL494723 | 187001 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 1.8 | Cc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 25128828 | 187659 | 2 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 237 | 4 | 2 | 5 | 1.3 | CN(C)CCNc1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL499631 | 187659 | 2 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 237 | 4 | 2 | 5 | 1.3 | CN(C)CCNc1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| 58227163 | 175879 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25071319 | 188464 | 8 | None | -1 | 2 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL509540 | 188464 | 8 | None | -1 | 2 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 25130233 | 170036 | 6 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 259 | 2 | 2 | 6 | 0.2 | CN1CCN(c2cc(-c3cn[nH]c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL445091 | 170036 | 6 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 259 | 2 | 2 | 6 | 0.2 | CN1CCN(c2cc(-c3cn[nH]c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25128831 | 172034 | 0 | None | -1 | 2 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 277 | 2 | 0 | 5 | 1.6 | CN1CCN(c2cc(C(C)(C)C)nc(N(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL449157 | 172034 | 0 | None | -1 | 2 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 277 | 2 | 0 | 5 | 1.6 | CN1CCN(c2cc(C(C)(C)C)nc(N(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| 25130574 | 186783 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 293 | 2 | 1 | 5 | 2.0 | CN1CCN(c2cc(N)nc(-c3ccc(C#N)cc3)c2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493461 | 186783 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 293 | 2 | 1 | 5 | 2.0 | CN1CCN(c2cc(N)nc(-c3ccc(C#N)cc3)c2)CC1 | 10.1021/jm8005959 | ||
| 44568790 | 170838 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2nc(N)nc3c2Cc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL446269 | 170838 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 281 | 2 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2nc(N)nc3c2Cc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 155552061 | 175894 | 0 | None | -2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | -2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | -2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 45257133 | 198212 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594721 | 198212 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 11846300 | 79841 | 3 | None | -2 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 3032915 | 15306 | 20 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12160 | 15306 | 20 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 53321919 | 56169 | 0 | None | -50 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 322 | 7 | 3 | 3 | 3.8 | N=C(NCc1ccc(Cl)cc1)SCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632409 | 56169 | 0 | None | -50 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 322 | 7 | 3 | 3 | 3.8 | N=C(NCc1ccc(Cl)cc1)SCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10060213 | 102425 | 1 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 240 | 6 | 3 | 2 | 2.0 | CC(C)/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL306077 | 102425 | 1 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 240 | 6 | 3 | 2 | 2.0 | CC(C)/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25128823 | 192105 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 267 | 1 | 2 | 5 | 1.0 | Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL521995 | 192105 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 267 | 1 | 2 | 5 | 1.0 | Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2 | 10.1021/jm800670r | ||
| 25131230 | 192497 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 4 | 1 | 7 | 1.5 | COc1cccc(OC)c1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL522679 | 192497 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 4 | 1 | 7 | 1.5 | COc1cccc(OC)c1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 10037650 | 5123 | 0 | None | 47 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106158 | 5123 | 0 | None | 47 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 170389 | 205243 | 31 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL4634086 | 205243 | 31 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL91353 | 205243 | 31 | None | -4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 155513612 | 175736 | 0 | None | -14 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -14 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -14 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -14 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 136141537 | 56172 | 1 | None | -1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632412 | 56172 | 1 | None | -1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136192874 | 56174 | 0 | None | -3 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632414 | 56174 | 0 | None | -3 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 46228133 | 198361 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3cccc(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595639 | 198361 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3cccc(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 10197870 | 5214 | 0 | None | -47 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106612 | 5214 | 0 | None | -47 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10197870 | 5214 | 0 | None | -47 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106612 | 5214 | 0 | None | -47 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 10879463 | 5203 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106570 | 5203 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1278 | 2110 | 79 | None | -1 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1279 | 2110 | 79 | None | -1 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 4908365 | 2110 | 79 | None | -1 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| CHEMBL129198 | 2110 | 79 | None | -1 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1278 | 2110 | 79 | None | -1 | 4 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1279 | 2110 | 79 | None | -1 | 4 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 4908365 | 2110 | 79 | None | -1 | 4 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| CHEMBL129198 | 2110 | 79 | None | -1 | 4 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 58227260 | 116617 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 287 | 3 | 1 | 5 | 1.8 | CN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393546 | 116617 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 287 | 3 | 1 | 5 | 1.8 | CN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 11846636 | 77583 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL209628 | 77583 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 16061961 | 197987 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL593103 | 197987 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
| 127052635 | 139664 | 0 | None | 4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 288 | 5 | 3 | 3 | 2.0 | CC(C)CN/C(=N/C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805003 | 139664 | 0 | None | 4 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 288 | 5 | 3 | 3 | 2.0 | CC(C)CN/C(=N/C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25130237 | 186689 | 2 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 319 | 1 | 1 | 5 | 0.4 | CN1CCN(c2cc(I)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492864 | 186689 | 2 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 319 | 1 | 1 | 5 | 0.4 | CN1CCN(c2cc(I)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 127051301 | 139657 | 0 | None | 4 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804906 | 139657 | 0 | None | 4 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25131555 | 186586 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 270 | 2 | 1 | 6 | 0.9 | CN1CCN(c2cc(-c3cccnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492227 | 186586 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 270 | 2 | 1 | 6 | 0.9 | CN1CCN(c2cc(-c3cccnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130914 | 186661 | 0 | None | 15 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL492677 | 186661 | 0 | None | 15 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 10879463 | 5203 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106570 | 5203 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 1613 | 2306 | 44 | None | -31 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| 205 | 2306 | 44 | None | -31 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| 3964 | 2306 | 44 | None | -31 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| CHEMBL831 | 2306 | 44 | None | -31 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| DB00408 | 2306 | 44 | None | -31 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| 753256 | 178760 | 10 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2cc(N)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL473662 | 178760 | 10 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2cc(N)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25131560 | 186753 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 273 | 2 | 1 | 7 | 0.2 | CN1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493229 | 186753 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 273 | 2 | 1 | 7 | 0.2 | CN1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 1223 | 938 | 32 | None | -21 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.9b01342 | ||
| 2790 | 938 | 32 | None | -21 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL14690 | 938 | 32 | None | -21 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.9b01342 | ||
| 155512725 | 175657 | 0 | None | -1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | -1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | -1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 10037650 | 5123 | 0 | None | 47 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106158 | 5123 | 0 | None | 47 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 25129881 | 186589 | 4 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 270 | 2 | 1 | 6 | 0.9 | CN1CCN(c2cc(-c3ccncc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492241 | 186589 | 4 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 270 | 2 | 1 | 6 | 0.9 | CN1CCN(c2cc(-c3ccncc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 44568855 | 192581 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 285 | 2 | 1 | 5 | 2.0 | CC(C)(C)c1cc(N2CCNCC2)nc(-n2cccc2)n1 | 10.1021/jm8005959 | ||
| CHEMBL523335 | 192581 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 285 | 2 | 1 | 5 | 2.0 | CC(C)(C)c1cc(N2CCNCC2)nc(-n2cccc2)n1 | 10.1021/jm8005959 | ||
| 25128832 | 171436 | 0 | None | - | 1 | Rat | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 250 | 1 | 1 | 5 | 1.2 | CN1CCN(c2cc(C(C)(C)C)nc(O)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL447151 | 171436 | 0 | None | - | 1 | Rat | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 250 | 1 | 1 | 5 | 1.2 | CN1CCN(c2cc(C(C)(C)C)nc(O)n2)CC1 | 10.1021/jm8005959 | ||
| 25071940 | 186761 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 281 | 1 | 2 | 5 | 1.2 | Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL493281 | 186761 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 281 | 1 | 2 | 5 | 1.2 | Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2 | 10.1021/jm800670r | ||
| 127049156 | 139651 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 272 | 4 | 3 | 3 | 1.5 | N#C/N=C(\NC[C@H]1CC[C@H](c2c[nH]cn2)C1)NC1CC1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804837 | 139651 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 272 | 4 | 3 | 3 | 1.5 | N#C/N=C(\NC[C@H]1CC[C@H](c2c[nH]cn2)C1)NC1CC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 11437850 | 187068 | 1 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3cccc(C#N)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL495082 | 187068 | 1 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3cccc(C#N)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25129883 | 192111 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 300 | 3 | 1 | 7 | 0.9 | COc1ccncc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL522019 | 192111 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 300 | 3 | 1 | 7 | 0.9 | COc1ccncc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 25133972 | 186757 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 293 | 2 | 1 | 5 | 2.0 | CN1CCN(c2cc(-c3ccc(C#N)cc3)cc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493262 | 186757 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 293 | 2 | 1 | 5 | 2.0 | CN1CCN(c2cc(-c3ccc(C#N)cc3)cc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130575 | 186996 | 1 | None | - | 1 | Rat | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 248 | 1 | 1 | 4 | 2.6 | CC1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494687 | 186996 | 1 | None | - | 1 | Rat | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 248 | 1 | 1 | 4 | 2.6 | CC1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130577 | 172019 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 306 | 4 | 1 | 6 | 1.0 | CN(C)CCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL449021 | 172019 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 306 | 4 | 1 | 6 | 1.0 | CN(C)CCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 10773349 | 7992 | 1 | None | -89 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL109130 | 7992 | 1 | None | -89 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 127052634 | 139766 | 0 | None | 6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 272 | 4 | 3 | 3 | 1.5 | N#C/N=C(\NC[C@@H]1CC[C@H](c2c[nH]cn2)C1)NC1CC1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806146 | 139766 | 0 | None | 6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 272 | 4 | 3 | 3 | 1.5 | N#C/N=C(\NC[C@@H]1CC[C@H](c2c[nH]cn2)C1)NC1CC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 90667240 | 108978 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1[nH]cnc1CCCCN/C(=N\C#N)NCCSc1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220642 | 108978 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1[nH]cnc1CCCCN/C(=N\C#N)NCCSc1ccccc1 | 10.1039/C3MD00245D | ||
| 25130576 | 187033 | 1 | None | -2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| CHEMBL494890 | 187033 | 1 | None | -2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| 25128826 | 188219 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 263 | 2 | 1 | 5 | 1.5 | CCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL506187 | 188219 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 263 | 2 | 1 | 5 | 1.5 | CCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130576 | 187033 | 1 | None | -2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| CHEMBL494890 | 187033 | 1 | None | -2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| 58227157 | 115404 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3354815 | 115404 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 1226 | 1980 | 16 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| 41376 | 1980 | 16 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12608 | 1980 | 16 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| 25133970 | 186995 | 2 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 250 | 1 | 1 | 6 | 0.5 | CN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494679 | 186995 | 2 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 250 | 1 | 1 | 6 | 0.5 | CN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| 25130230 | 171879 | 2 | None | 3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 259 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL448085 | 171879 | 2 | None | 3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 259 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 1269 | 121 | 33 | None | -56 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | -56 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | -56 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44480958 | 5582 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 325 | 9 | 3 | 4 | 1.8 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1ccncc1 | 10.1021/jm900526h | ||
| CHEMBL1077859 | 5582 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 325 | 9 | 3 | 4 | 1.8 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1ccncc1 | 10.1021/jm900526h | ||
| 25131556 | 188274 | 7 | None | 3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 300 | 3 | 1 | 7 | 0.9 | COc1ncccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL507063 | 188274 | 7 | None | 3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 300 | 3 | 1 | 7 | 0.9 | COc1ncccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 127051047 | 139768 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806162 | 139768 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 45257134 | 198251 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1cccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594949 | 198251 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1cccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1016/j.bmc.2009.08.059 | ||
| 25131231 | 186594 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(I)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492288 | 186594 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(I)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 10381810 | 203453 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL7828 | 203453 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 155512725 | 175657 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 127052294 | 139759 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806079 | 139759 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1204 | 1893 | 114 | None | -97 | 11 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -97 | 11 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -97 | 11 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -97 | 11 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -97 | 11 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -97 | 11 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25128822 | 186888 | 0 | None | -19 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL494093 | 186888 | 0 | None | -19 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 155491015 | 175911 | 3 | None | -31 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4441731 | 175911 | 3 | None | -31 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4596734 | 175911 | 3 | None | -31 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| 46890072 | 6817 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 404 | 8 | 2 | 4 | 4.9 | Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084355 | 6817 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 404 | 8 | 2 | 4 | 4.9 | Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46890166 | 7220 | 0 | None | 3 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086105 | 7220 | 0 | None | 3 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 58227373 | 175924 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 21638785 | 188063 | 4 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| CHEMBL503605 | 188063 | 4 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| 25130911 | 184637 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 236 | 2 | 1 | 6 | -0.1 | CN1CCN(c2cc(N(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL485802 | 184637 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 236 | 2 | 1 | 6 | -0.1 | CN1CCN(c2cc(N(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 16352 | 116670 | 11 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL339414 | 116670 | 11 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 1267 | 3732 | 43 | None | -8 | 5 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -8 | 5 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -8 | 5 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 25130579 | 187119 | 2 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 238 | 4 | 1 | 5 | 1.3 | CN(C)CCOc1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL495341 | 187119 | 2 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 238 | 4 | 1 | 5 | 1.3 | CN(C)CCOc1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| 10678661 | 5275 | 1 | None | -309 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106931 | 5275 | 1 | None | -309 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 46228101 | 198106 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594022 | 198106 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 1249 | 1970 | 14 | None | -18 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 13499360 | 1970 | 14 | None | -18 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90019 | 1970 | 14 | None | -18 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1269 | 121 | 33 | None | 35 | 6 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | 35 | 6 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | 35 | 6 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25129528 | 186593 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3cccc(Cl)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492287 | 186593 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3cccc(Cl)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 44568923 | 192491 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 327 | 2 | 1 | 5 | 2.3 | CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL522661 | 192491 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 327 | 2 | 1 | 5 | 2.3 | CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 67087450 | 116621 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393550 | 116621 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 44547127 | 115405 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3354816 | 115405 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227148 | 116618 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393547 | 116618 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 10678661 | 5275 | 1 | None | -309 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106931 | 5275 | 1 | None | -309 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25131557 | 192646 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 301 | 3 | 1 | 8 | 0.3 | COc1ncc(-c2cc(N3CCN(C)CC3)nc(N)n2)cn1 | 10.1021/jm8005959 | ||
| CHEMBL523835 | 192646 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 301 | 3 | 1 | 8 | 0.3 | COc1ncc(-c2cc(N3CCN(C)CC3)nc(N)n2)cn1 | 10.1021/jm8005959 | ||
| 25130909 | 186787 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2nc(N)ncc2N)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493478 | 186787 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2nc(N)ncc2N)CC1 | 10.1021/jm8005959 | ||
| 44478385 | 5684 | 2 | None | 20 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078642 | 5684 | 2 | None | 20 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| 46890549 | 6492 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 396 | 6 | 2 | 4 | 4.2 | Cc1cc(OCCCN2CCCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083085 | 6492 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 396 | 6 | 2 | 4 | 4.2 | Cc1cc(OCCCN2CCCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 44480960 | 5539 | 2 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.2 | CC(C)N/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1077636 | 5539 | 2 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.2 | CC(C)N/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 42625303 | 180174 | 0 | None | -2089 | 7 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL475621 | 180174 | 0 | None | -2089 | 7 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.9b01342 | ||
| 56954425 | 81655 | 0 | None | -16 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165643 | 81655 | 0 | None | -16 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 25130913 | 169609 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 278 | 2 | 1 | 7 | -0.4 | CN1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL444484 | 169609 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 278 | 2 | 1 | 7 | -0.4 | CN1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 1274 | 3989 | 12 | None | -776 | 4 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| 3063228 | 3989 | 12 | None | -776 | 4 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL1196470 | 3989 | 12 | None | -776 | 4 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| 155517880 | 176083 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155552061 | 175894 | 0 | None | -8 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | -8 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | -8 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25129180 | 186658 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 264 | 4 | 1 | 6 | 0.7 | CCN(CC)c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL492662 | 186658 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 264 | 4 | 1 | 6 | 0.7 | CCN(CC)c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 3228743 | 186788 | 5 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 207 | 1 | 1 | 5 | 0.1 | Cc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL493479 | 186788 | 5 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 207 | 1 | 1 | 5 | 0.1 | Cc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 12769844 | 108977 | 0 | None | -3 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 234 | 5 | 3 | 3 | 0.7 | CN/C(=N/C#N)NCCCCc1nc[nH]c1C | 10.1039/C3MD00245D | ||
| CHEMBL3220641 | 108977 | 0 | None | -3 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 234 | 5 | 3 | 3 | 0.7 | CN/C(=N/C#N)NCCCCc1nc[nH]c1C | 10.1039/C3MD00245D | ||
| 25129181 | 186659 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 305 | 3 | 1 | 7 | -0.0 | CN1CCN(c2cc(N3CCC(N(C)C)C3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492663 | 186659 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 305 | 3 | 1 | 7 | -0.0 | CN1CCN(c2cc(N3CCC(N(C)C)C3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25128825 | 186971 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 248 | 1 | 1 | 4 | 2.2 | CN1CCC(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494585 | 186971 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 248 | 1 | 1 | 4 | 2.2 | CN1CCC(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 44478385 | 5684 | 2 | None | 20 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL1078642 | 5684 | 2 | None | 20 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/acs.jmedchem.6b00120 | ||
| 44478385 | 5684 | 2 | None | 20 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL1078642 | 5684 | 2 | None | 20 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1039/C3MD00245D | ||
| 25129527 | 186821 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493720 | 186821 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 24798596 | 198175 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 310 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(N3Cc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594491 | 198175 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 310 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(N3Cc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 127052292 | 139723 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 7 | 3 | 3 | 2.9 | N#C/N=C(/NCCCc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805663 | 139723 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 7 | 3 | 3 | 2.9 | N#C/N=C(/NCCCc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1274 | 3989 | 12 | None | 7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| 3063228 | 3989 | 12 | None | 7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL1196470 | 3989 | 12 | None | 7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| 11846465 | 141388 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL387054 | 141388 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1 | 10.1021/jm051008s | ||
| 25131559 | 186992 | 0 | None | -23 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 259 | 2 | 2 | 6 | 0.2 | CN1CCN(c2cc(-c3c[nH]cn3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494667 | 186992 | 0 | None | -23 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 259 | 2 | 2 | 6 | 0.2 | CN1CCN(c2cc(-c3c[nH]cn3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25131561 | 186811 | 0 | None | 3 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 286 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493664 | 186811 | 0 | None | 3 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 286 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 46235428 | 6511 | 0 | None | -263 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083162 | 6511 | 0 | None | -263 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1269 | 121 | 33 | None | 35 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | 35 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | 35 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136030655 | 56173 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632413 | 56173 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25129523 | 186694 | 40 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492884 | 186694 | 40 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25129523 | 186694 | 40 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL492884 | 186694 | 40 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 70692530 | 75324 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 322 | 2 | 1 | 4 | 2.1 | CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL2047474 | 75324 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 322 | 2 | 1 | 4 | 2.1 | CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| 91613 | 17789 | 31 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1ncc(CCN)[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12620 | 17789 | 31 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1ncc(CCN)[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 58227326 | 116613 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 249 | 6 | 2 | 5 | 1.5 | CCCCNc1nccc(N2CC[C@@H](NC)C2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393542 | 116613 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 249 | 6 | 2 | 5 | 1.5 | CCCCNc1nccc(N2CC[C@@H](NC)C2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227373 | 175924 | 0 | None | -3 | 3 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | -3 | 3 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | -3 | 3 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25071004 | 192106 | 0 | None | 1 | 2 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL521996 | 192106 | 0 | None | 1 | 2 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 42625303 | 180174 | 0 | None | -2 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL475621 | 180174 | 0 | None | -2 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25128824 | 192565 | 0 | None | 1 | 2 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| CHEMBL523225 | 192565 | 0 | None | 1 | 2 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| 10702196 | 108068 | 1 | None | -1 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL320279 | 108068 | 1 | None | -1 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 56954320 | 81653 | 0 | None | -12 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165641 | 81653 | 0 | None | -12 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 25129524 | 186591 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 1.8 | Cc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1021/jm8005959 | ||
| CHEMBL492274 | 186591 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 1.8 | Cc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1021/jm8005959 | ||
| 25130909 | 186787 | 0 | None | -1 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2nc(N)ncc2N)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493478 | 186787 | 0 | None | -1 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2nc(N)ncc2N)CC1 | 10.1021/jm8005959 | ||
| 1278 | 2110 | 79 | None | -1 | 4 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 1279 | 2110 | 79 | None | -1 | 4 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 4908365 | 2110 | 79 | None | -1 | 4 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| CHEMBL129198 | 2110 | 79 | None | -1 | 4 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 25128833 | 187808 | 30 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 193 | 1 | 1 | 5 | -0.2 | CN1CCN(c2ccnc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL501882 | 187808 | 30 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 193 | 1 | 1 | 5 | -0.2 | CN1CCN(c2ccnc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25129526 | 186820 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL493719 | 186820 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 24797248 | 198174 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 324 | 2 | 1 | 6 | 1.4 | CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594490 | 198174 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 324 | 2 | 1 | 6 | 1.4 | CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 127050434 | 139707 | 0 | None | 3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 160 | 3 | 4 | 3 | 0.2 | CC(=N)SCCNC(=N)N | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805514 | 139707 | 0 | None | 3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 160 | 3 | 4 | 3 | 0.2 | CC(=N)SCCNC(=N)N | 10.1021/acs.jmedchem.6b00120 | ||
| 25129169 | 186588 | 0 | None | 1 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| CHEMBL492231 | 186588 | 0 | None | 1 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| 24798595 | 169797 | 2 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 276 | 2 | 1 | 6 | 0.8 | CN1CCN(c2cc(N3CCCCC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL444782 | 169797 | 2 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 276 | 2 | 1 | 6 | 0.8 | CN1CCN(c2cc(N3CCCCC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 90667239 | 108976 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 342 | 8 | 3 | 4 | 2.5 | Cc1nc(CCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL3220640 | 108976 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 342 | 8 | 3 | 4 | 2.5 | Cc1nc(CCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
| 25130573 | 186292 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 249 | 1 | 1 | 5 | 1.1 | CN1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL489663 | 186292 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 249 | 1 | 1 | 5 | 1.1 | CN1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| 25130581 | 186632 | 0 | None | -3 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 264 | 2 | 0 | 5 | 1.5 | COc1nc(N2CCN(C)CC2)cc(C(C)(C)C)n1 | 10.1021/jm8005959 | ||
| CHEMBL492489 | 186632 | 0 | None | -3 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 264 | 2 | 0 | 5 | 1.5 | COc1nc(N2CCN(C)CC2)cc(C(C)(C)C)n1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | -4 | 3 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494678 | 186994 | 1 | None | -4 | 3 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 46890546 | 6422 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 6 | 2 | 4 | 3.8 | Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082771 | 6422 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 6 | 2 | 4 | 3.8 | Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46228143 | 198390 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 343 | 5 | 2 | 8 | 1.3 | CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595880 | 198390 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 343 | 5 | 2 | 8 | 1.3 | CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 117724523 | 116600 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 248 | 6 | 2 | 4 | 2.1 | CCCCNc1cc(N2CC[C@@H](NC)C2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393529 | 116600 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 248 | 6 | 2 | 4 | 2.1 | CCCCNc1cc(N2CC[C@@H](NC)C2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| 25130914 | 186661 | 0 | None | -15 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492677 | 186661 | 0 | None | -15 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25129179 | 187075 | 4 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 222 | 2 | 2 | 6 | -0.1 | CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL495112 | 187075 | 4 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 222 | 2 | 2 | 6 | -0.1 | CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 25130236 | 187108 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 268 | 1 | 0 | 4 | 2.2 | CN1CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL495265 | 187108 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 268 | 1 | 0 | 4 | 2.2 | CN1CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 | 10.1021/jm8005959 | ||
| 25068753 | 187844 | 15 | None | 1 | 2 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL502347 | 187844 | 15 | None | 1 | 2 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 53233805 | 61180 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.5 | CC(C)CNc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770964 | 61180 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 263 | 4 | 2 | 5 | 1.5 | CC(C)CNc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 46890545 | 7289 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 396 | 6 | 1 | 4 | 4.0 | Cc1cc(OCCCN2CCN(C)CC2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086460 | 7289 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 396 | 6 | 1 | 4 | 4.0 | Cc1cc(OCCCN2CCN(C)CC2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1274 | 3989 | 12 | None | 7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1016/j.bmcl.2010.10.041 | ||
| 3063228 | 3989 | 12 | None | 7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1196470 | 3989 | 12 | None | 7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1016/j.bmcl.2010.10.041 | ||
| 1274 | 3989 | 12 | None | 7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm060880d | ||
| 3063228 | 3989 | 12 | None | 7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm060880d | ||
| CHEMBL1196470 | 3989 | 12 | None | 7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm060880d | ||
| 136141537 | 56172 | 1 | None | -5 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632412 | 56172 | 1 | None | -5 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| 11313837 | 2454 | 7 | None | -15848 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1254 | 2454 | 7 | None | -15848 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL175782 | 2454 | 7 | None | -15848 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10583206 | 108859 | 0 | None | -6 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL321920 | 108859 | 0 | None | -6 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -51 | 11 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -51 | 11 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -51 | 11 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -51 | 11 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -51 | 11 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -51 | 11 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 155513612 | 175736 | 0 | None | -18 | 3 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -18 | 3 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -18 | 3 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -18 | 3 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155512725 | 175657 | 0 | None | -6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | -6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | -6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 58227163 | 175879 | 0 | None | -4 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | -4 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | -4 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25130580 | 173720 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 263 | 2 | 1 | 5 | 1.6 | CNc1nc(N2CCN(C)CC2)cc(C(C)(C)C)n1 | 10.1021/jm8005959 | ||
| CHEMBL455016 | 173720 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 263 | 2 | 1 | 5 | 1.6 | CNc1nc(N2CCN(C)CC2)cc(C(C)(C)C)n1 | 10.1021/jm8005959 | ||
| 25129878 | 186742 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 3 | 1 | 7 | 1.4 | COc1c(-c2ccc(C#N)cc2)nc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493103 | 186742 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 3 | 1 | 7 | 1.4 | COc1c(-c2ccc(C#N)cc2)nc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| 127052295 | 139654 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 352 | 7 | 3 | 4 | 2.4 | N#C/N=C(/NCCOc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804862 | 139654 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 352 | 7 | 3 | 4 | 2.4 | N#C/N=C(/NCCOc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1204 | 1893 | 114 | None | -97 | 11 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -97 | 11 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -97 | 11 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -97 | 11 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -97 | 11 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -97 | 11 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 53233803 | 61178 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.2 | CC(C)Nc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770962 | 61178 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 249 | 3 | 2 | 5 | 1.2 | CC(C)Nc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25129169 | 186588 | 0 | None | -1 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| CHEMBL492231 | 186588 | 0 | None | -1 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| 127049856 | 139702 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805431 | 139702 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 90667238 | 108975 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 220 | 4 | 3 | 3 | 0.3 | CN/C(=N/C#N)NCCCc1c[nH]c(C)n1 | 10.1039/C3MD00245D | ||
| CHEMBL3220639 | 108975 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 220 | 4 | 3 | 3 | 0.3 | CN/C(=N/C#N)NCCCc1c[nH]c(C)n1 | 10.1039/C3MD00245D | ||
| 565544 | 109242 | 9 | None | -4466 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.5 | CC(CN)c1cnc[nH]1 | 10.1021/jm0300025 | ||
| CHEMBL322988 | 109242 | 9 | None | -4466 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.5 | CC(CN)c1cnc[nH]1 | 10.1021/jm0300025 | ||
| 10583206 | 108859 | 0 | None | -6 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL321920 | 108859 | 0 | None | -6 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 25130915 | 186695 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 1.8 | Cc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| CHEMBL492885 | 186695 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 1.8 | Cc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| 46228125 | 198295 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(c2cc(NCc3ccc(Cl)c(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595215 | 198295 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(c2cc(NCc3ccc(Cl)c(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 44482028 | 5533 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 325 | 9 | 3 | 4 | 1.8 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1ccccn1 | 10.1021/jm900526h | ||
| CHEMBL1077580 | 5533 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 325 | 9 | 3 | 4 | 1.8 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCCc1ccccn1 | 10.1021/jm900526h | ||
| 25131232 | 186697 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 2 | 1 | 6 | 1.7 | Cc1c(-c2ccc(C#N)cc2)nc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492900 | 186697 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 2 | 1 | 6 | 1.7 | Cc1c(-c2ccc(C#N)cc2)nc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | -4 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL494678 | 186994 | 1 | None | -4 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | -4 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL494678 | 186994 | 1 | None | -4 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 45257133 | 198212 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594721 | 198212 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 25128824 | 192565 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| CHEMBL523225 | 192565 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| 155517880 | 176083 | 0 | None | -2 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | -2 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | -2 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 45269820 | 193669 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL1202326 | 193669 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL551790 | 193669 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| 25071004 | 192106 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL521996 | 192106 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 46890022 | 6953 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 410 | 8 | 3 | 4 | 4.3 | Cc1cc(OCCCNCC2CCCNC2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084869 | 6953 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 410 | 8 | 3 | 4 | 4.3 | Cc1cc(OCCCNCC2CCCNC2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46228158 | 200463 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 323 | 4 | 2 | 7 | 1.3 | CN1CCN(c2cc(NCc3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL609289 | 200463 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 323 | 4 | 2 | 7 | 1.3 | CN1CCN(c2cc(NCc3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46890547 | 6423 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 396 | 7 | 2 | 4 | 4.0 | CNC1CCN(CCCOc2ccc(-c3nc4c(C)c(F)ccc4[nH]3)c(C)c2)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082772 | 6423 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 396 | 7 | 2 | 4 | 4.0 | CNC1CCN(CCCOc2ccc(-c3nc4c(C)c(F)ccc4[nH]3)c(C)c2)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1255 | 3134 | 11 | None | -19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 6 | 1 | 2 | 2.6 | C(CCc1cnc[nH]1)OCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 6421522 | 3134 | 11 | None | -19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 6 | 1 | 2 | 2.6 | C(CCc1cnc[nH]1)OCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL19173 | 3134 | 11 | None | -19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 216 | 6 | 1 | 2 | 2.6 | C(CCc1cnc[nH]1)OCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 9974306 | 202759 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72372 | 202759 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10060212 | 202819 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CCC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72769 | 202819 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CCC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136192874 | 56174 | 0 | None | 1 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632414 | 56174 | 0 | None | 1 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1236 | 2028 | 23 | None | -549 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 1237 | 2028 | 23 | None | -549 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 156615 | 2028 | 23 | None | -549 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL268229 | 2028 | 23 | None | -549 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 25129175 | 186786 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 223 | 2 | 1 | 6 | -0.2 | COc1cnc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493477 | 186786 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 223 | 2 | 1 | 6 | -0.2 | COc1cnc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| 25130914 | 186661 | 0 | None | 15 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492677 | 186661 | 0 | None | 15 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130908 | 171275 | 2 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 207 | 1 | 1 | 5 | 0.1 | Cc1cnc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| CHEMBL446896 | 171275 | 2 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 207 | 1 | 1 | 5 | 0.1 | Cc1cnc(N)nc1N1CCN(C)CC1 | 10.1021/jm8005959 | ||
| 24797775 | 186652 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 249 | 1 | 1 | 5 | 1.1 | CN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492631 | 186652 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 249 | 1 | 1 | 5 | 1.1 | CN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 1204 | 1893 | 114 | None | -51 | 11 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -51 | 11 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -51 | 11 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -51 | 11 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -51 | 11 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -51 | 11 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25130912 | 188143 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL505061 | 188143 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25149521 | 178464 | 0 | None | 1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL471413 | 178464 | 0 | None | 1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2015.12.035 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2015.12.035 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2015.12.035 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2015.12.035 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2015.12.035 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 1269 | 121 | 33 | None | 35 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| 37463 | 121 | 33 | None | 35 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| CHEMBL275443 | 121 | 33 | None | 35 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 44482031 | 5551 | 1 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 234 | 6 | 3 | 3 | 0.8 | CCN/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1077756 | 5551 | 1 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 234 | 6 | 3 | 3 | 0.8 | CCN/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 46890019 | 7216 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086085 | 7216 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 156015638 | 177687 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -1 | 4 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| 1279 | 2110 | 79 | None | -1 | 4 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| 4908365 | 2110 | 79 | None | -1 | 4 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL129198 | 2110 | 79 | None | -1 | 4 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| 10978141 | 5066 | 1 | None | -7 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL105803 | 5066 | 1 | None | -7 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 58227127 | 116614 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 261 | 3 | 1 | 5 | 1.6 | CN1CCN(c2ccnc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393543 | 116614 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 261 | 3 | 1 | 5 | 1.6 | CN1CCN(c2ccnc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 44481489 | 5622 | 0 | None | 18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078210 | 5622 | 0 | None | 18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 10419556 | 5271 | 0 | None | -9 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106913 | 5271 | 0 | None | -9 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 11086114 | 7298 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL108649 | 7298 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 10820930 | 5707 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL107877 | 5707 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 10106063 | 108770 | 6 | None | 40 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL321860 | 108770 | 6 | None | 40 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 10106063 | 108770 | 6 | None | 40 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL321860 | 108770 | 6 | None | 40 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/acs.jmedchem.6b00120 | ||
| 56954318 | 81652 | 0 | None | -7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165640 | 81652 | 0 | None | -7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 10106063 | 108770 | 6 | None | 40 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL321860 | 108770 | 6 | None | 40 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10017000 | 202770 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 288 | 7 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72431 | 202770 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 288 | 7 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -1 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -1 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -1 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -1 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -1 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -1 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136192874 | 56174 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632414 | 56174 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm1013488 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm1013488 | ||
| 1239 | 1994 | 23 | None | -1995 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1240 | 1994 | 23 | None | -1995 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 912 | 1994 | 23 | None | -1995 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL268490 | 1994 | 23 | None | -1995 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10978141 | 5066 | 1 | None | -7 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL105803 | 5066 | 1 | None | -7 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1278 | 2110 | 79 | None | -1 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| 1279 | 2110 | 79 | None | -1 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| 4908365 | 2110 | 79 | None | -1 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL129198 | 2110 | 79 | None | -1 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.9b01342 | ||
| 42625303 | 180174 | 0 | None | -501 | 7 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL475621 | 180174 | 0 | None | -501 | 7 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.9b01342 | ||
| 10419556 | 5271 | 0 | None | -9 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106913 | 5271 | 0 | None | -9 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 11086114 | 7298 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL108649 | 7298 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 155513612 | 175736 | 0 | None | -14 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -14 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -14 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -14 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25130230 | 171879 | 2 | None | -3 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 259 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL448085 | 171879 | 2 | None | -3 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 259 | 2 | 1 | 7 | -0.0 | CN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25133971 | 186756 | 2 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 249 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc(N)cc(C(C)(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL493261 | 186756 | 2 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 249 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc(N)cc(C(C)(C)C)n2)CC1 | 10.1021/jm8005959 | ||
| 25130229 | 188159 | 6 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 271 | 2 | 1 | 7 | 0.3 | CN1CCN(c2cc(-c3cncnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL505346 | 188159 | 6 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 271 | 2 | 1 | 7 | 0.3 | CN1CCN(c2cc(-c3cncnc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 56954515 | 81639 | 0 | None | -16 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165628 | 81639 | 0 | None | -16 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 56954322 | 81654 | 0 | None | -10 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165642 | 81654 | 0 | None | -10 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 45257131 | 198216 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594731 | 198216 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| 11846298 | 138738 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccc(F)cc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL379102 | 138738 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccc(F)cc32)CC1 | 10.1021/jm051008s | ||
| 25129176 | 172182 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2nc(N)ncc2-c2ccccc2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL451108 | 172182 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2nc(N)ncc2-c2ccccc2)CC1 | 10.1021/jm8005959 | ||
| 58227388 | 116609 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 249 | 4 | 1 | 5 | 1.3 | CC(C)CNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393538 | 116609 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 249 | 4 | 1 | 5 | 1.3 | CC(C)CNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1223 | 938 | 32 | None | -812 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.9b01342 | ||
| 2790 | 938 | 32 | None | -812 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL14690 | 938 | 32 | None | -812 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.9b01342 | ||
| 10820929 | 107708 | 1 | None | -30 | 2 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@@H]1C=C[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL319658 | 107708 | 1 | None | -30 | 2 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@@H]1C=C[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 53233801 | 61201 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770985 | 61201 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 58227252 | 116615 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393544 | 116615 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1204 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -51 | 11 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1274 | 3989 | 12 | None | -199 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| 3063228 | 3989 | 12 | None | -199 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL1196470 | 3989 | 12 | None | -199 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/acs.jmedchem.9b01342 | ||
| 25130236 | 187108 | 0 | None | -1 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 268 | 1 | 0 | 4 | 2.2 | CN1CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL495265 | 187108 | 0 | None | -1 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 268 | 1 | 0 | 4 | 2.2 | CN1CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 | 10.1021/jm8005959 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 25129877 | 168882 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 395 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3cccc(I)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL442865 | 168882 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 395 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3cccc(I)c3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 44568847 | 186656 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 301 | 3 | 1 | 6 | 2.0 | CN1CCN(c2cc(Sc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL492652 | 186656 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 301 | 3 | 1 | 6 | 2.0 | CN1CCN(c2cc(Sc3ccccc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25101945 | 192494 | 0 | None | 1 | 2 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL522673 | 192494 | 0 | None | 1 | 2 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 25101945 | 192494 | 0 | None | -1 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL522673 | 192494 | 0 | None | -1 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 58227143 | 116612 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 249 | 5 | 1 | 5 | 1.4 | CCCCNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393541 | 116612 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 249 | 5 | 1 | 5 | 1.4 | CCCCNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 16061961 | 197987 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL593103 | 197987 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 112936251 | 136729 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752085 | 136729 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 58227163 | 175879 | 0 | None | -8 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | -8 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | -8 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25131556 | 188274 | 7 | None | -3 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 300 | 3 | 1 | 7 | 0.9 | COc1ncccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL507063 | 188274 | 7 | None | -3 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 300 | 3 | 1 | 7 | 0.9 | COc1ncccc1-c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm8005959 | ||
| 25128830 | 187120 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 234 | 1 | 0 | 4 | 1.5 | CN1CCN(c2cc(C(C)(C)C)ncn2)CC1 | 10.1021/jm8005959 | ||
| CHEMBL495342 | 187120 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 234 | 1 | 0 | 4 | 1.5 | CN1CCN(c2cc(C(C)(C)C)ncn2)CC1 | 10.1021/jm8005959 | ||
| 127035835 | 136748 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752270 | 136748 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 11983344 | 5586 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 220 | 5 | 3 | 3 | 0.4 | CN/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1077862 | 5586 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 220 | 5 | 3 | 3 | 0.4 | CN/C(=N\C#N)NCCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 25128829 | 186741 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 5 | 1.7 | CN(C)CCCN(C)c1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| CHEMBL493100 | 186741 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 5 | 1.7 | CN(C)CCCN(C)c1cc(C(C)(C)C)nc(N)n1 | 10.1021/jm8005959 | ||
| 24745335 | 292 | 7 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 24745335 | 292 | 7 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 156013896 | 177655 | 0 | None | -3 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -3 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -3 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 44129134 | 197817 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 384 | 5 | 2 | 7 | 0.7 | CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591969 | 197817 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 384 | 5 | 2 | 7 | 0.7 | CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 56835171 | 69382 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935574 | 69382 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| 16082828 | 79835 | 0 | None | -6 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL213886 | 79835 | 0 | None | -6 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 71525678 | 89281 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376800 | 89281 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 71525679 | 89282 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376801 | 89282 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2019.02.020 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2019.02.020 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2019.02.020 | ||
| 10446295 | 2092 | 29 | None | 11 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 1277 | 2092 | 29 | None | 11 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| CHEMBL185951 | 2092 | 29 | None | 11 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 155563181 | 174721 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 12 | 1 | 7 | 5.1 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCCCCCN2CCCCC2)cc1 | 10.1021/acs.jmedchem.9b00937 | ||
| CHEMBL4573309 | 174721 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 12 | 1 | 7 | 5.1 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCCCCCN2CCCCC2)cc1 | 10.1021/acs.jmedchem.9b00937 | ||
| 25147771 | 173656 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL454890 | 173656 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 16082833 | 79922 | 0 | None | -40 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL214312 | 79922 | 0 | None | -40 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| 90645145 | 111673 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 348 | 2 | 1 | 6 | 1.6 | CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290578 | 111673 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 348 | 2 | 1 | 6 | 1.6 | CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.9b00937 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.9b00937 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.9b00937 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| 3201696 | 15578 | 3 | None | -22 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 348 | 5 | 0 | 6 | 2.1 | CN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.009 | ||
| CHEMBL1222728 | 15578 | 3 | None | -22 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 348 | 5 | 0 | 6 | 2.1 | CN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.009 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 63868328 | 173669 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 236 | 3 | 1 | 6 | 0.2 | CCCc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4549015 | 173669 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 236 | 3 | 1 | 6 | 0.2 | CCCc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 71548412 | 1870 | 14 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 9879 | 1870 | 14 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4790724 | 1870 | 14 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 16656871 | 7879 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090531 | 7879 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 16718567 | 8063 | 0 | None | 3311 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091874 | 8063 | 0 | None | 3311 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 155540438 | 171964 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 290 | 3 | 1 | 6 | 1.3 | CN1CCN(c2nc(N)nc(CC3CCCCC3)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4483783 | 171964 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 290 | 3 | 1 | 6 | 1.3 | CN1CCN(c2nc(N)nc(CC3CCCCC3)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| 44129130 | 197865 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL592379 | 197865 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 11682208 | 8175 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 370 | 1 | 0 | 5 | 3.8 | CN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092542 | 8175 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 370 | 1 | 0 | 5 | 3.8 | CN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 25112105 | 8064 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091875 | 8064 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 24745335 | 292 | 7 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 16656872 | 7815 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090190 | 7815 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 122193095 | 123383 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628042 | 123383 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 49841846 | 69380 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 325 | 2 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935572 | 69380 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 325 | 2 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 49841719 | 69379 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935571 | 69379 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 90645147 | 111671 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290576 | 111671 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 24745335 | 292 | 7 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 8985 | 292 | 7 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1915540 | 292 | 7 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| DB15027 | 292 | 7 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 10446295 | 2092 | 29 | None | 11 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 1277 | 2092 | 29 | None | 11 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| CHEMBL185951 | 2092 | 29 | None | 11 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 122194625 | 123490 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3629828 | 123490 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2015.08.014 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2011.09.061 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2011.09.061 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2011.09.061 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0603318 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0603318 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0603318 | ||
| 25147772 | 172827 | 4 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL452847 | 172827 | 4 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 71548412 | 1870 | 14 | None | -14 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 9879 | 1870 | 14 | None | -14 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4790724 | 1870 | 14 | None | -14 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 11709443 | 8147 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 314 | 1 | 0 | 5 | 2.9 | CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc12 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092332 | 8147 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 314 | 1 | 0 | 5 | 2.9 | CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc12 | 10.1016/j.bmcl.2010.02.097 | ||
| 71519674 | 89285 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376804 | 89285 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 16656874 | 8007 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 288 | 2 | 1 | 5 | 2.4 | CNC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091569 | 8007 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 288 | 2 | 1 | 5 | 2.4 | CNC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 49841845 | 69381 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935573 | 69381 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 156013896 | 177655 | 0 | None | -38 | 3 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -38 | 3 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -38 | 3 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 16082831 | 79921 | 0 | None | -100 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL214311 | 79921 | 0 | None | -100 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 71525681 | 89284 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376803 | 89284 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 58227148 | 116618 | 0 | None | - | 1 | Human | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393547 | 116618 | 0 | None | - | 1 | Human | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 59777258 | 109631 | 0 | None | - | 0 | Human | 10.0 | pKd | = | 10 | Functional | ChEMBL | 273 | 2 | 2 | 5 | 1.5 | Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236561 | 109631 | 0 | None | - | 0 | Human | 10.0 | pKd | = | 10 | Functional | ChEMBL | 273 | 2 | 2 | 5 | 1.5 | Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1 | 10.1021/jm401727m | ||
| 24797604 | 109622 | 2 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 261 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1 | 10.1021/jm401727m | ||
| CHEMBL3236552 | 109622 | 2 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 261 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1 | 10.1021/jm401727m | ||
| 24994542 | 109624 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 261 | 3 | 2 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236554 | 109624 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 261 | 3 | 2 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24798144 | 109623 | 2 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236553 | 109623 | 2 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| 53257796 | 109645 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 247 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236575 | 109645 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 247 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 54587790 | 61196 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770980 | 61196 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24745337 | 61195 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770979 | 61195 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 59777338 | 109626 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 1.3 | Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236556 | 109626 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 1.3 | Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| 44547268 | 116597 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 5 | 2 | 4 | 1.9 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393526 | 116597 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 5 | 2 | 4 | 1.9 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227340 | 116603 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393532 | 116603 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227200 | 116606 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393535 | 116606 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 54585781 | 61217 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1771000 | 61217 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54583873 | 61185 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 249 | 4 | 3 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770969 | 61185 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 249 | 4 | 3 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54587787 | 61187 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770971 | 61187 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54581940 | 61208 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770992 | 61208 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25130912 | 188143 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL505061 | 188143 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 23653543 | 67691 | 2 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 317 | 1 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914541 | 67691 | 2 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 317 | 1 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24994636 | 109635 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 277 | 3 | 3 | 6 | 0.5 | CN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O | 10.1021/jm401727m | ||
| CHEMBL3236565 | 109635 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 277 | 3 | 3 | 6 | 0.5 | CN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O | 10.1021/jm401727m | ||
| 42624149 | 109638 | 1 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236568 | 109638 | 1 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 59777262 | 109642 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 283 | 4 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236572 | 109642 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 283 | 4 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 54584824 | 61193 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770977 | 61193 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 58227337 | 116624 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393553 | 116624 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227259 | 116627 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393556 | 116627 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 24798144 | 109623 | 2 | None | - | 1 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236553 | 109623 | 2 | None | - | 1 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| 24826766 | 67744 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CNC1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914750 | 67744 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CNC1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 9944571 | 116503 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338937 | 116503 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 24994634 | 2102 | 26 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 53258370 | 109639 | 1 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 207 | 2 | 2 | 5 | 0.2 | CCc1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236569 | 109639 | 1 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 207 | 2 | 2 | 5 | 0.2 | CCc1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 24994635 | 109640 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 235 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(C(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236570 | 109640 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 235 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(C(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 54582865 | 61175 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770959 | 61175 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54584825 | 61206 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770990 | 61206 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 11587279 | 124518 | 3 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL364400 | 124518 | 3 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 46890627 | 6496 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 408 | 6 | 2 | 4 | 4.0 | Cc1cc(OCCCN2CC3CCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083098 | 6496 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 408 | 6 | 2 | 4 | 4.0 | Cc1cc(OCCCN2CC3CCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 66740470 | 109297 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 289 | 2 | 2 | 6 | 0.9 | Nc1nc(C2CCCC2)cc(N2C[C@H]3NCCO[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3233048 | 109297 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 289 | 2 | 2 | 6 | 0.9 | Nc1nc(C2CCCC2)cc(N2C[C@H]3NCCO[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| 11687917 | 14781 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 1.9 | Cc1cc(Cl)c2nc(C(=O)N3CCN(C)CC3)[nH]c2c1 | 10.1021/jm0502081 | ||
| CHEMBL120854 | 14781 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 1.9 | Cc1cc(Cl)c2nc(C(=O)N3CCN(C)CC3)[nH]c2c1 | 10.1021/jm0502081 | ||
| 9966927 | 18672 | 4 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128252 | 18672 | 4 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 54581938 | 61188 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 261 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770972 | 61188 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 261 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 67087450 | 116621 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393550 | 116621 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 11594278 | 14506 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 1.4 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| CHEMBL120591 | 14506 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 1.4 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| 9923162 | 18736 | 5 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128613 | 18736 | 5 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 11120826 | 18715 | 1 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128505 | 18715 | 1 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 46890677 | 7195 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2CC3C(C2)N3C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086038 | 7195 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2CC3C(C2)N3C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46890166 | 7220 | 0 | None | -3 | 4 | Mouse | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086105 | 7220 | 0 | None | -3 | 4 | Mouse | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 66740898 | 109632 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 1.7 | CN1C[C@H]2CN(c3cc(C4CCCC4)nc(N)n3)C[C@H]2C1 | 10.1021/jm401727m | ||
| CHEMBL3236562 | 109632 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 1.7 | CN1C[C@H]2CN(c3cc(C4CCCC4)nc(N)n3)C[C@H]2C1 | 10.1021/jm401727m | ||
| 10468601 | 193908 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 274 | 6 | 3 | 3 | 2.8 | N=C(NCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202324 | 193908 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 274 | 6 | 3 | 3 | 2.8 | N=C(NCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL555434 | 193908 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 274 | 6 | 3 | 3 | 2.8 | N=C(NCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 53233904 | 61181 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 261 | 2 | 1 | 5 | 1.0 | CN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770965 | 61181 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 261 | 2 | 1 | 5 | 1.0 | CN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 10446295 | 2092 | 29 | None | 11 | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 1277 | 2092 | 29 | None | 11 | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| CHEMBL185951 | 2092 | 29 | None | 11 | 2 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 4242975 | 18639 | 9 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL128088 | 18639 | 9 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 9900313 | 19211 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129444 | 19211 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 9839217 | 72159 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 297 | 1 | 1 | 3 | 2.6 | Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| CHEMBL199062 | 72159 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 297 | 1 | 1 | 3 | 2.6 | Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| 11565330 | 96758 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 275 | 1 | 1 | 2 | 2.0 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1021/jm0502081 | ||
| CHEMBL268525 | 96758 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 275 | 1 | 1 | 2 | 2.0 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1021/jm0502081 | ||
| 4906599 | 168086 | 10 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL436381 | 168086 | 10 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 24996854 | 109634 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 287 | 2 | 2 | 5 | 2.0 | Nc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236564 | 109634 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 287 | 2 | 2 | 5 | 2.0 | Nc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1 | 10.1021/jm401727m | ||
| 42624150 | 109647 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 249 | 2 | 2 | 5 | 1.2 | CN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236577 | 109647 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 249 | 2 | 2 | 5 | 1.2 | CN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24797956 | 109628 | 3 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 233 | 2 | 2 | 5 | 0.9 | Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236558 | 109628 | 3 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 233 | 2 | 2 | 5 | 0.9 | Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 | 10.1021/jm401727m | ||
| 24992735 | 109653 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1 | 10.1021/jm401727m | ||
| CHEMBL3236582 | 109653 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 247 | 2 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1 | 10.1021/jm401727m | ||
| 10244243 | 140769 | 3 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 258 | 1 | 1 | 3 | 1.3 | Cc1cccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| CHEMBL383384 | 140769 | 3 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 258 | 1 | 1 | 3 | 1.3 | Cc1cccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| 46890592 | 6300 | 0 | None | - | 2 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082296 | 6300 | 0 | None | - | 2 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 44547127 | 115405 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3354816 | 115405 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 24992077 | 109641 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.2 | CCCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236571 | 109641 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 249 | 5 | 2 | 5 | 1.2 | CCCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 10934567 | 19047 | 1 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL129026 | 19047 | 1 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 11630326 | 72211 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 263 | 1 | 1 | 3 | 1.9 | Cc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| CHEMBL199231 | 72211 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 263 | 1 | 1 | 3 | 1.9 | Cc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| 44547567 | 116604 | 2 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393533 | 116604 | 2 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 4060730 | 19168 | 51 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129199 | 19168 | 51 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 53378711 | 109648 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 235 | 1 | 2 | 5 | 0.9 | CC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236578 | 109648 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 235 | 1 | 2 | 5 | 0.9 | CC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 24994634 | 2102 | 26 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 54753437 | 67826 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915048 | 67826 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 42624149 | 109638 | 1 | None | - | 0 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236568 | 109638 | 1 | None | - | 0 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 46890590 | 6931 | 0 | None | - | 0 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084810 | 6931 | 0 | None | - | 0 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 11572877 | 66730 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 291 | 1 | 1 | 2 | 2.5 | Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL187285 | 66730 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 291 | 1 | 1 | 2 | 2.5 | Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 9992865 | 113915 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 262 | 1 | 1 | 3 | 1.1 | CN1CCN(C(=O)c2nc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL333220 | 113915 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 262 | 1 | 1 | 3 | 1.1 | CN1CCN(C(=O)c2nc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 11601630 | 132283 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3sc(Cl)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL370135 | 132283 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3sc(Cl)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 46890546 | 6422 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 382 | 6 | 2 | 4 | 3.8 | Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082771 | 6422 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 382 | 6 | 2 | 4 | 3.8 | Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46890590 | 6931 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084810 | 6931 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 2063135 | 8278 | 9 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1093180 | 8278 | 9 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 11066922 | 19210 | 1 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129436 | 19210 | 1 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 24994634 | 2102 | 26 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 10083188 | 140390 | 3 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL382276 | 140390 | 3 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 46890019 | 7216 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086085 | 7216 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 10967174 | 19227 | 3 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL129540 | 19227 | 3 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 42624148 | 109644 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 233 | 3 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2cc(C3CC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236574 | 109644 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 233 | 3 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2cc(C3CC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 54583875 | 61211 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770995 | 61211 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 58227179 | 116619 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393548 | 116619 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227086 | 116628 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393557 | 116628 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 10967174 | 19227 | 3 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129540 | 19227 | 3 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 10988959 | 117592 | 4 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL340740 | 117592 | 4 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 10923241 | 18957 | 1 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128958 | 18957 | 1 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 9878733 | 116331 | 1 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338051 | 116331 | 1 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 11623296 | 116509 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 280 | 1 | 1 | 3 | 1.2 | CN1CCN(C(=O)c2nc3c(F)c(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338972 | 116509 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 280 | 1 | 1 | 3 | 1.2 | CN1CCN(C(=O)c2nc3c(F)c(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 16202258 | 67861 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 264 | 4 | 3 | 6 | 0.9 | CNC1CN(c2cc(NCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915536 | 67861 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 264 | 4 | 3 | 6 | 0.9 | CNC1CN(c2cc(NCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 24745506 | 67862 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 278 | 5 | 3 | 6 | 1.3 | CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915537 | 67862 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 278 | 5 | 3 | 6 | 1.3 | CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 24745335 | 292 | 7 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 44187557 | 193817 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 342 | 6 | 3 | 3 | 4.1 | N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/jm1013488 | ||
| CHEMBL1202332 | 193817 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 342 | 6 | 3 | 3 | 4.1 | N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/jm1013488 | ||
| CHEMBL553423 | 193817 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 342 | 6 | 3 | 3 | 4.1 | N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/jm1013488 | ||
| 135525668 | 67855 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915348 | 67855 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 136042270 | 69557 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 269 | 1 | 2 | 3 | 1.4 | CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938979 | 69557 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 269 | 1 | 2 | 3 | 1.4 | CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 24745507 | 67863 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 302 | 5 | 3 | 6 | 1.2 | CNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915538 | 67863 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 302 | 5 | 3 | 6 | 1.2 | CNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57401167 | 69511 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938846 | 69511 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57400778 | 67853 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915346 | 67853 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 135525668 | 67855 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915348 | 67855 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57391926 | 69544 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 270 | 1 | 1 | 3 | 1.2 | CN1C[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938967 | 69544 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 270 | 1 | 1 | 3 | 1.2 | CN1C[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 136042269 | 69556 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 323 | 1 | 2 | 3 | 1.8 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938978 | 69556 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 323 | 1 | 2 | 3 | 1.8 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57402929 | 69509 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938844 | 69509 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57395538 | 67854 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915347 | 67854 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 136042267 | 69554 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938976 | 69554 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57400777 | 67852 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915345 | 67852 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57400777 | 67852 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915345 | 67852 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 49841846 | 69380 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 325 | 2 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935572 | 69380 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 325 | 2 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 11688307 | 69545 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 318 | 2 | 1 | 3 | 2.2 | CCN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938968 | 69545 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 318 | 2 | 1 | 3 | 2.2 | CCN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 54754351 | 67860 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915535 | 67860 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57400778 | 67853 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915346 | 67853 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 10446295 | 2092 | 29 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 1277 | 2092 | 29 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL185951 | 2092 | 29 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 10446295 | 2092 | 29 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1277 | 2092 | 29 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL185951 | 2092 | 29 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 49841719 | 69379 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935571 | 69379 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 57391927 | 69546 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 332 | 2 | 1 | 3 | 2.6 | CC(C)N1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938969 | 69546 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 332 | 2 | 1 | 3 | 2.6 | CC(C)N1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 49841845 | 69381 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935573 | 69381 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 57395538 | 67854 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915347 | 67854 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 136042265 | 69552 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 303 | 1 | 2 | 3 | 2.0 | CN1C[C@H]2CN(C(=N)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938974 | 69552 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 303 | 1 | 2 | 3 | 2.0 | CN1C[C@H]2CN(C(=N)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57395620 | 67859 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915534 | 67859 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57395620 | 67859 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915534 | 67859 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 1278 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1279 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 4908365 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL129198 | 2110 | 79 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1267 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 3035905 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL260374 | 3732 | 43 | None | -17 | 5 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 56835171 | 69382 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935574 | 69382 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| 57390145 | 69548 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 290 | 1 | 2 | 3 | 1.5 | O=C(c1nc2cc(Cl)ccc2[nH]1)N1C[C@@H]2CNC[C@@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938970 | 69548 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 290 | 1 | 2 | 3 | 1.5 | O=C(c1nc2cc(Cl)ccc2[nH]1)N1C[C@@H]2CNC[C@@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 136042268 | 69555 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 287 | 1 | 2 | 3 | 1.5 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938977 | 69555 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 287 | 1 | 2 | 3 | 1.5 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 136042266 | 69553 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 301 | 1 | 2 | 3 | 1.8 | Cc1c(F)ccc2[nH]c(C(=N)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938975 | 69553 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 301 | 1 | 2 | 3 | 1.8 | Cc1c(F)ccc2[nH]c(C(=N)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| 54754351 | 67860 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915535 | 67860 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.125 | ||
| 56950378 | 69510 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 302 | 1 | 1 | 3 | 1.6 | Cc1c(F)ccc2[nH]c(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938845 | 69510 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 302 | 1 | 1 | 3 | 1.6 | Cc1c(F)ccc2[nH]c(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| 135 | 2486 | 38 | None | -2 | 31 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | None | -2 | 31 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | None | -2 | 31 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | None | -2 | 31 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | None | -2 | 31 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1225 | 1438 | 24 | None | -3 | 11 | Human | 8.2 | pEC50 | = | 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 | pEC50 | = | 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 | pEC50 | = | 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 | pEC50 | = | 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 | pEC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 5344 | 172891 | 98 | None | 60 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 267 | 3 | 2 | 5 | 1.7 | Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C | None | ||
| CHEMBL453 | 172891 | 98 | None | 60 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 267 | 3 | 2 | 5 | 1.7 | Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C | None | ||
| 1272 | 816 | 0 | None | - | 1 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 15265943 | ||||
| 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 |
| 51354301 | 58569 | 0 | None | -10 | 2 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL1688969 | 58569 | 0 | None | -10 | 2 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/acs.jmedchem.8b00435 | ||
| 70692530 | 75324 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 322 | 2 | 1 | 4 | 2.1 | CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL2047474 | 75324 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 322 | 2 | 1 | 4 | 2.1 | CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| 90667434 | 108988 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 313 | 7 | 2 | 3 | 1.9 | CC(CC(=O)/N=C(\N)NCCCn1ccnc1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220892 | 108988 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 313 | 7 | 2 | 3 | 1.9 | CC(CC(=O)/N=C(\N)NCCCn1ccnc1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 44367568 | 45469 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 0.6 | c1nc(C[C@@H]2CCNC2)c[nH]1 | 10.1021/jm030905y | ||
| CHEMBL153051 | 45469 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 0.6 | c1nc(C[C@@H]2CCNC2)c[nH]1 | 10.1021/jm030905y | ||
| 9877454 | 203891 | 1 | None | -4 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1ccc(Cc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| CHEMBL81644 | 203891 | 1 | None | -4 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1ccc(Cc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| 155512725 | 175657 | 0 | None | - | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | - | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | - | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm9000693 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm9000693 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm9000693 | ||
| 9793791 | 45744 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 137 | 2 | 2 | 2 | 0.5 | NCC1CC1c1c[nH]cn1 | 10.1021/jm030905y | ||
| CHEMBL153284 | 45744 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 137 | 2 | 2 | 2 | 0.5 | NCC1CC1c1c[nH]cn1 | 10.1021/jm030905y | ||
| 155524115 | 175963 | 0 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm030905y | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm030905y | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm030905y | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm030905y | ||
| 46890592 | 6300 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082296 | 6300 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46890166 | 7220 | 0 | None | -4786 | 2 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086105 | 7220 | 0 | None | -4786 | 2 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.8b00435 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.8b00435 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.8b00435 | ||
| 155524115 | 175963 | 0 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4454158 | 175963 | 0 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4597218 | 175963 | 0 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| 11344458 | 203477 | 2 | None | -14 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cncc(CCCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| CHEMBL78497 | 203477 | 2 | None | -14 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cncc(CCCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 24797956 | 109628 | 3 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.9 | Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236558 | 109628 | 3 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.9 | Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 | 10.1021/jm401727m | ||
| 58227373 | 175924 | 0 | None | - | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | - | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | - | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155552061 | 175894 | 0 | None | 38 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | 38 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | 38 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 46887115 | 8411 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094144 | 8411 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 58227373 | 175924 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155517880 | 176083 | 0 | None | - | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | - | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | - | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25149335 | 183633 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
| 25149335 | 183633 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 25149335 | 183633 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| 45267230 | 194798 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1ccccc1Cl)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL1202318 | 194798 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1ccccc1Cl)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL563342 | 194798 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1ccccc1Cl)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| 42625223 | 179335 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
| CHEMBL474617 | 179335 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
| 11240759 | 104721 | 5 | None | -190 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cc(CCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| CHEMBL311473 | 104721 | 5 | None | -190 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cc(CCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| 9812843 | 203523 | 1 | None | -4 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1cncc(Cc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| CHEMBL78838 | 203523 | 1 | None | -4 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1cncc(Cc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| 11469514 | 103678 | 2 | None | -64 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cc(CCCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| CHEMBL309654 | 103678 | 2 | None | -64 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cc(CCCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| 155524115 | 175963 | 0 | None | - | 3 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | - | 3 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | - | 3 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 127052293 | 139695 | 1 | None | - | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | - | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 42626109 | 179178 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL474447 | 179178 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 155512725 | 175657 | 0 | None | - | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | - | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | - | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 42625386 | 177768 | 0 | None | - | 2 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL465170 | 177768 | 0 | None | - | 2 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 46830167 | 8658 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096429 | 8658 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 11171320 | 45654 | 5 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 179 | 3 | 2 | 2 | 1.3 | c1nc(CCC2CCCNC2)c[nH]1 | 10.1021/jm030905y | ||
| CHEMBL153207 | 45654 | 5 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 179 | 3 | 2 | 2 | 1.3 | c1nc(CCC2CCCNC2)c[nH]1 | 10.1021/jm030905y | ||
| 170389 | 205243 | 31 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/jm030905y | ||
| CHEMBL4634086 | 205243 | 31 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/jm030905y | ||
| CHEMBL91353 | 205243 | 31 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/jm030905y | ||
| 46887041 | 8657 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096428 | 8657 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 155517880 | 176083 | 0 | None | - | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | - | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | - | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 127052293 | 139695 | 1 | None | 34 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | 34 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 11301441 | 95694 | 6 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL260549 | 95694 | 6 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401677g | ||
| 58227401 | 175867 | 0 | None | - | 2 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | - | 2 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | - | 2 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -2 | 4 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -2 | 4 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -2 | 4 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -2 | 4 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 42625222 | 179180 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL474449 | 179180 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 1267 | 3732 | 43 | None | -21 | 28 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -21 | 28 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -21 | 28 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 90667228 | 108968 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1ncc[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220629 | 108968 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1ncc[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 58227401 | 175867 | 0 | None | - | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | - | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | - | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 42625303 | 180174 | 0 | None | - | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL475621 | 180174 | 0 | None | - | 2 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 42625304 | 178512 | 0 | None | - | 2 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL471724 | 178512 | 0 | None | - | 2 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 11286909 | 203563 | 2 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1ccc(CCCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| CHEMBL79126 | 203563 | 2 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1ccc(CCCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| 9964223 | 203964 | 11 | None | -36 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cncc(CCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| CHEMBL82244 | 203964 | 11 | None | -36 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cncc(CCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| 42626111 | 189092 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL515428 | 189092 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 58227373 | 175924 | 0 | None | - | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | - | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | - | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155552061 | 175894 | 0 | None | - | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | - | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | - | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 58227163 | 175879 | 0 | None | - | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | - | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | - | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 127050776 | 139704 | 0 | None | - | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805437 | 139704 | 0 | None | - | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 45269820 | 193669 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL1202326 | 193669 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL551790 | 193669 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.8b00435 | ||
| 155512725 | 175657 | 0 | None | 154 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | 154 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | 154 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 16078981 | 43808 | 12 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | c1nc(CC2CCCNC2)c[nH]1 | 10.1021/jm030905y | ||
| CHEMBL151467 | 43808 | 12 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | c1nc(CC2CCCNC2)c[nH]1 | 10.1021/jm030905y | ||
| 155524115 | 175963 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 46887043 | 8660 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096431 | 8660 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 42625384 | 169195 | 0 | None | - | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL443896 | 169195 | 0 | None | - | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 44367567 | 168624 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 0.6 | c1nc(C[C@H]2CCNC2)c[nH]1 | 10.1021/jm030905y | ||
| CHEMBL440730 | 168624 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 0.6 | c1nc(C[C@H]2CCNC2)c[nH]1 | 10.1021/jm030905y | ||
| 58227163 | 175879 | 0 | None | 40 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | 40 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | 40 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 127049855 | 139685 | 0 | None | -1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805220 | 139685 | 0 | None | -1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 127051301 | 139657 | 0 | None | - | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804906 | 139657 | 0 | None | - | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 46235428 | 6511 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083162 | 6511 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049932u | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049932u | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049932u | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm030905y | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm030905y | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm030905y | ||
| 11206058 | 103923 | 9 | None | -10 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1ccc(CCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| CHEMBL310360 | 103923 | 9 | None | -10 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1ccc(CCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| 127049855 | 139685 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805220 | 139685 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25149708 | 187842 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| CHEMBL502339 | 187842 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| 58227401 | 175867 | 0 | None | 7 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | 7 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | 7 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 46887079 | 8409 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094142 | 8409 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 127051301 | 139657 | 0 | None | 5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804906 | 139657 | 0 | None | 5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25130914 | 186661 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL492677 | 186661 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1021/acs.jmedchem.8b00435 | ||
| 156015638 | 177687 | 0 | None | -58 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -58 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -58 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 58227163 | 175879 | 0 | None | - | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | - | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | - | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25149613 | 178611 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL472441 | 178611 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| 136773074 | 156811 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 335 | 6 | 2 | 4 | 3.6 | COc1ccc(/C(=N/[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4077914 | 156811 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 335 | 6 | 2 | 4 | 3.6 | COc1ccc(/C(=N/[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| 42625221 | 188987 | 0 | None | - | 2 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL514641 | 188987 | 0 | None | - | 2 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 24798144 | 109623 | 2 | None | -19 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236553 | 109623 | 2 | None | -19 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| 10374457 | 28667 | 2 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm030905y | ||
| CHEMBL13795 | 28667 | 2 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm030905y | ||
| 11819221 | 45488 | 3 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 0.6 | c1nc(CC2CCNC2)c[nH]1 | 10.1021/jm030905y | ||
| CHEMBL153061 | 45488 | 3 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 0.6 | c1nc(CC2CCNC2)c[nH]1 | 10.1021/jm030905y | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 90667229 | 108969 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 319 | 7 | 3 | 3 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1ncc[nH]1)c1cccs1 | 10.1039/C3MD00245D | ||
| CHEMBL3220630 | 108969 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 319 | 7 | 3 | 3 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1ncc[nH]1)c1cccs1 | 10.1039/C3MD00245D | ||
| 11546127 | 95027 | 2 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.3 | COc1ccc2c(c1)c(CC(=O)NCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL25725 | 95027 | 2 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.3 | COc1ccc2c(c1)c(CC(=O)NCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 182527 | 110066 | 7 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL325327 | 110066 | 7 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 46887042 | 8659 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096430 | 8659 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149521 | 178464 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL471413 | 178464 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| 155552061 | 175894 | 0 | None | - | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | - | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | - | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155517880 | 176083 | 0 | None | 16 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | 16 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | 16 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 4024 | 1976 | 14 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1021/jm049932u | ||
| 9989505 | 1976 | 14 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1021/jm049932u | ||
| CHEMBL82298 | 1976 | 14 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1021/jm049932u | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 16718567 | 8063 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091874 | 8063 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 46885297 | 8315 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 318 | 1 | 1 | 6 | 2.5 | CN1CCN(c2nc(O)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1093438 | 8315 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 318 | 1 | 1 | 6 | 2.5 | CN1CCN(c2nc(O)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 17747460 | 60985 | 8 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767164 | 60985 | 8 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 46884945 | 8146 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 330 | 1 | 0 | 5 | 3.6 | CC1CN(c2ncnc3c2oc2ccc(Cl)cc23)CC(C)N1C | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092331 | 8146 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 330 | 1 | 0 | 5 | 3.6 | CC1CN(c2ncnc3c2oc2ccc(Cl)cc23)CC(C)N1C | 10.1016/j.bmcl.2010.02.097 | ||
| 71547931 | 182519 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 289 | 2 | 1 | 7 | 0.7 | CNC1CN(c2nc3ncc(Cl)cc3c3ncnn23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4794724 | 182519 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 289 | 2 | 1 | 7 | 0.7 | CNC1CN(c2nc3ncc(Cl)cc3c3ncnn23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 11335478 | 160406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 297 | 0 | 2 | 3 | 3.5 | O[C@@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| CHEMBL4115693 | 160406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 297 | 0 | 2 | 3 | 3.5 | O[C@@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| 1224 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 11709443 | 8147 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 1 | 0 | 5 | 2.9 | CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc12 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092332 | 8147 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 1 | 0 | 5 | 2.9 | CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc12 | 10.1016/j.bmcl.2010.02.097 | ||
| 71548405 | 181567 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 303 | 2 | 0 | 7 | 1.1 | CN(C)C1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4782441 | 181567 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 303 | 2 | 0 | 7 | 1.1 | CN(C)C1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 46884998 | 7880 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 288 | 1 | 1 | 5 | 2.6 | NC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090532 | 7880 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 288 | 1 | 1 | 5 | 2.6 | NC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 25112105 | 8064 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091875 | 8064 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71547681 | 182353 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 289 | 1 | 1 | 7 | 0.7 | Clc1cnc2nc(N3CCNCC3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4792733 | 182353 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 289 | 1 | 1 | 7 | 0.7 | Clc1cnc2nc(N3CCNCC3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| 46885128 | 7873 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 316 | 2 | 1 | 5 | 3.2 | CNC1(C)CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090519 | 7873 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 316 | 2 | 1 | 5 | 3.2 | CNC1(C)CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 46885129 | 7874 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 328 | 1 | 1 | 5 | 3.2 | Clc1ccc2oc3c(N4CC5CCCNC5C4)ncnc3c2c1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090520 | 7874 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 328 | 1 | 1 | 5 | 3.2 | Clc1ccc2oc3c(N4CC5CCCNC5C4)ncnc3c2c1 | 10.1016/j.bmcl.2010.02.097 | ||
| 46885241 | 8176 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 3.8 | CN[C@@H]1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092543 | 8176 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 3.8 | CN[C@@H]1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 16656869 | 8005 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 316 | 2 | 1 | 5 | 3.1 | CNC1CCN(c2nc(C)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091559 | 8005 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 316 | 2 | 1 | 5 | 3.1 | CNC1CCN(c2nc(C)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 124087 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 11566111 | 8247 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 328 | 1 | 0 | 5 | 3.3 | CN1CC2CCC1CN2c1ncnc2c1oc1ccc(Cl)cc12 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092933 | 8247 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 328 | 1 | 0 | 5 | 3.3 | CN1CC2CCC1CN2c1ncnc2c1oc1ccc(Cl)cc12 | 10.1016/j.bmcl.2010.02.097 | ||
| 71547932 | 182175 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 0 | 7 | 1.1 | CN1CCN(c2nc3ncc(Cl)cc3c3ncnn23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4790239 | 182175 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 0 | 7 | 1.1 | CN1CCN(c2nc3ncc(Cl)cc3c3ncnn23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 13680692 | 182842 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 313 | 2 | 0 | 8 | 0.9 | CN1CCN(c2nc3ccc([N+](=O)[O-])cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4798729 | 182842 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 313 | 2 | 0 | 8 | 0.9 | CN1CCN(c2nc3ccc([N+](=O)[O-])cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 46885239 | 8095 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@@H]1CCN(c2ncnc3c2oc2cc(Cl)ccc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092064 | 8095 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@@H]1CCN(c2ncnc3c2oc2cc(Cl)ccc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71547762 | 182127 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 337 | 1 | 0 | 7 | 1.7 | CN1CCN(c2nc3nc(Cl)c(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4789645 | 182127 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 337 | 1 | 0 | 7 | 1.7 | CN1CCN(c2nc3nc(Cl)c(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 2063135 | 8278 | 9 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1093180 | 8278 | 9 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 11695388 | 8145 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 316 | 1 | 0 | 5 | 3.2 | CC1CN(c2ncnc3c2oc2ccc(Cl)cc23)CCN1C | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092330 | 8145 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 316 | 1 | 0 | 5 | 3.2 | CC1CN(c2ncnc3c2oc2ccc(Cl)cc23)CCN1C | 10.1016/j.bmcl.2010.02.097 | ||
| 9904236 | 13947 | 16 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| CHEMBL1197564 | 13947 | 16 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| 46884997 | 7624 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 316 | 2 | 0 | 5 | 3.2 | CN(C)C1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1088888 | 7624 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 316 | 2 | 0 | 5 | 3.2 | CN(C)C1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 1530 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 20889070 | 181280 | 5 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 302 | 1 | 0 | 6 | 1.7 | CN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4778864 | 181280 | 5 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 302 | 1 | 0 | 6 | 1.7 | CN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 820836 | 102455 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 268 | 1 | 0 | 6 | 1.0 | CN1CCN(c2nc3ccccc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL306316 | 102455 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 268 | 1 | 0 | 6 | 1.0 | CN1CCN(c2nc3ccccc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 121237834 | 146814 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 297 | 0 | 2 | 3 | 3.5 | O[C@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| CHEMBL3929465 | 146814 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 297 | 0 | 2 | 3 | 3.5 | O[C@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| 46884996 | 7900 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 1 | 0 | 5 | 3.3 | Clc1ccc2oc3c(N4CCN5CCCC5C4)ncnc3c2c1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090655 | 7900 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 1 | 0 | 5 | 3.3 | Clc1ccc2oc3c(N4CCN5CCCC5C4)ncnc3c2c1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71548223 | 181268 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 401 | 3 | 0 | 8 | 2.0 | CN1CCN(c2nc3nc(OCC(F)(F)F)c(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4778712 | 181268 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 401 | 3 | 0 | 8 | 2.0 | CN1CCN(c2nc3nc(OCC(F)(F)F)c(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547685 | 182398 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 1 | 0 | 8 | 0.3 | CN1CCN(c2nc3ncc(C#N)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4793425 | 182398 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 1 | 0 | 8 | 0.3 | CN1CCN(c2nc3ncc(C#N)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71548412 | 1870 | 14 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 9879 | 1870 | 14 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4790724 | 1870 | 14 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 71547764 | 181761 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 1 | 0 | 8 | 0.9 | CN1CCN(c2nc3nc(C#N)c(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4784683 | 181761 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 1 | 0 | 8 | 0.9 | CN1CCN(c2nc3nc(C#N)c(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71548498 | 181648 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 348 | 1 | 0 | 8 | 0.6 | CN1CCN(c2nc3ncc(Br)cc3n3nnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4783487 | 181648 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 348 | 1 | 0 | 8 | 0.6 | CN1CCN(c2nc3ncc(Br)cc3n3nnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71548031 | 182316 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 337 | 1 | 0 | 7 | 1.4 | CN1CCN(c2nc3ncc(C(F)(F)F)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4792352 | 182316 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 337 | 1 | 0 | 7 | 1.4 | CN1CCN(c2nc3ncc(C(F)(F)F)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 16656871 | 7879 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090531 | 7879 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.7b01855 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.7b01855 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.7b01855 | ||
| 71548412 | 1870 | 14 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 9879 | 1870 | 14 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4790724 | 1870 | 14 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 10.1021/acs.jmedchem.7b01855 | ||
| 71548319 | 182646 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 317 | 1 | 0 | 7 | 1.5 | CN1CCCN(c2nc3ncc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4796300 | 182646 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 317 | 1 | 0 | 7 | 1.5 | CN1CCCN(c2nc3ncc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 46885178 | 7617 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 2 | 1 | 5 | 3.2 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(C(F)(F)F)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1088859 | 7617 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 2 | 1 | 5 | 3.2 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(C(F)(F)F)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71548224 | 181936 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 1 | 0 | 7 | 1.5 | Cc1c(Br)cnc2nc(N3CCN(C)CC3)c3nncn3c12 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4787243 | 181936 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 1 | 0 | 7 | 1.5 | Cc1c(Br)cnc2nc(N3CCN(C)CC3)c3nncn3c12 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547599 | 181476 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 1 | 0 | 7 | 0.4 | CN1CCN(c2nc3ncccc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4781409 | 181476 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 1 | 0 | 7 | 0.4 | CN1CCN(c2nc3ncccc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547680 | 182235 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 1 | 0 | 7 | 0.4 | CN1CCN(c2nc3cccnc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4791152 | 182235 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 269 | 1 | 0 | 7 | 0.4 | CN1CCN(c2nc3cccnc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 11709905 | 8271 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 342 | 2 | 0 | 5 | 3.7 | CN1CCN(c2nc(C3CC3)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1093138 | 8271 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 342 | 2 | 0 | 5 | 3.7 | CN1CCN(c2nc(C3CC3)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 16656872 | 7815 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1090190 | 7815 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71548027 | 181258 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 395 | 1 | 0 | 7 | 1.0 | CN1CCN(c2nc3ncc(I)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4778591 | 181258 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 395 | 1 | 0 | 7 | 1.0 | CN1CCN(c2nc3ncc(I)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 3934857 | 8004 | 23 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 316 | 1 | 0 | 5 | 3.1 | Cc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091558 | 8004 | 23 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 316 | 1 | 0 | 5 | 3.1 | Cc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71547282 | 182481 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 317 | 1 | 0 | 7 | 1.5 | C[C@H]1CN(c2nc3ncc(Cl)cc3n3cnnc23)CCN1C | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4794336 | 182481 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 317 | 1 | 0 | 7 | 1.5 | C[C@H]1CN(c2nc3ncc(Cl)cc3n3cnnc23)CCN1C | 10.1021/acs.jmedchem.7b01855 | ||
| 1278 | 2110 | 79 | None | -4 | 8 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 1279 | 2110 | 79 | None | -4 | 8 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 4908365 | 2110 | 79 | None | -4 | 8 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129198 | 2110 | 79 | None | -4 | 8 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 89477685 | 182982 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 303 | 2 | 1 | 7 | 1.1 | CN[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4800462 | 182982 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 303 | 2 | 1 | 7 | 1.1 | CN[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 89477651 | 182856 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 315 | 1 | 0 | 7 | 1.2 | CN1C[C@@H]2C[C@H]1CN2c1nc2ncc(Cl)cc2n2cnnc12 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4798915 | 182856 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 315 | 1 | 0 | 7 | 1.2 | CN1C[C@@H]2C[C@H]1CN2c1nc2ncc(Cl)cc2n2cnnc12 | 10.1021/acs.jmedchem.7b01855 | ||
| 11638468 | 8248 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 1 | 0 | 5 | 3.3 | CN1C2CCC1CN(c1ncnc3c1oc1ccc(Cl)cc13)C2 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092934 | 8248 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 1 | 0 | 5 | 3.3 | CN1C2CCC1CN(c1ncnc3c1oc1ccc(Cl)cc13)C2 | 10.1016/j.bmcl.2010.02.097 | ||
| 71547281 | 182695 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 317 | 2 | 0 | 7 | 1.5 | CN(C)[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4796842 | 182695 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 317 | 2 | 0 | 7 | 1.5 | CN(C)[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 89477709 | 182102 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 301 | 1 | 1 | 7 | 0.9 | Clc1cnc2nc(N3C[C@@H]4C[C@H]3CN4)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4789385 | 182102 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 301 | 1 | 1 | 7 | 0.9 | Clc1cnc2nc(N3C[C@@H]4C[C@H]3CN4)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547597 | 182539 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 283 | 1 | 0 | 7 | 0.7 | Cc1cnc2nc(N3CCN(C)CC3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4795091 | 182539 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 283 | 1 | 0 | 7 | 0.7 | Cc1cnc2nc(N3CCN(C)CC3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547848 | 182445 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 329 | 1 | 0 | 7 | 1.6 | Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4793974 | 182445 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 329 | 1 | 0 | 7 | 1.6 | Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547765 | 181896 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 8 | 1.5 | CCOc1nc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4786816 | 181896 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 8 | 1.5 | CCOc1nc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl | 10.1021/acs.jmedchem.7b01855 | ||
| 71547682 | 181610 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 275 | 1 | 1 | 7 | 0.5 | NC1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4782945 | 181610 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 275 | 1 | 1 | 7 | 0.5 | NC1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 89477439 | 181484 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 290 | 2 | 1 | 8 | 0.1 | CNC1CN(c2nc3ncc(Cl)cc3n3nnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4781484 | 181484 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 290 | 2 | 1 | 8 | 0.1 | CNC1CN(c2nc3ncc(Cl)cc3n3nnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 58475282 | 181060 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 282 | 1 | 0 | 6 | 1.3 | Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4776004 | 181060 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 282 | 1 | 0 | 6 | 1.3 | Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71548411 | 181987 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 304 | 1 | 0 | 8 | 0.5 | CN1CCN(c2nc3ncc(Cl)cc3n3nnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4787983 | 181987 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 304 | 1 | 0 | 8 | 0.5 | CN1CCN(c2nc3ncc(Cl)cc3n3nnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 53380276 | 182212 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 301 | 1 | 0 | 5 | 2.3 | CN1CCN(c2cc3ccc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4790726 | 182212 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 301 | 1 | 0 | 5 | 2.3 | CN1CCN(c2cc3ccc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 46885181 | 8238 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 293 | 2 | 1 | 6 | 2.0 | CNC1CCN(c2ncnc3c2oc2ccc(C#N)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092880 | 8238 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 293 | 2 | 1 | 6 | 2.0 | CNC1CCN(c2ncnc3c2oc2ccc(C#N)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 89477539 | 182118 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 289 | 1 | 1 | 7 | 0.9 | N[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4789543 | 182118 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 289 | 1 | 1 | 7 | 0.9 | N[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71515465 | 181552 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 289 | 2 | 1 | 7 | 0.7 | CNC1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4782303 | 181552 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 289 | 2 | 1 | 7 | 0.7 | CNC1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547683 | 181212 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 347 | 1 | 0 | 7 | 1.2 | CN1CCN(c2nc3ncc(Br)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4778068 | 181212 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 347 | 1 | 0 | 7 | 1.2 | CN1CCN(c2nc3ncc(Br)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 89477445 | 181458 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 303 | 1 | 1 | 7 | 1.1 | C[C@H]1CN(c2nc3ncc(Cl)cc3n3cnnc23)CCN1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4781143 | 181458 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 303 | 1 | 1 | 7 | 1.1 | C[C@H]1CN(c2nc3ncc(Cl)cc3n3cnnc23)CCN1 | 10.1021/acs.jmedchem.7b01855 | ||
| 71547678 | 182748 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 303 | 1 | 0 | 7 | 1.1 | CN1CCN(c2nc3ncc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| CHEMBL4797517 | 182748 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 303 | 1 | 0 | 7 | 1.1 | CN1CCN(c2nc3ncc(Cl)cc3n3cnnc23)CC1 | 10.1021/acs.jmedchem.7b01855 | ||
| 24994634 | 2102 | 26 | None | 2 | 7 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| 8984 | 2102 | 26 | None | 2 | 7 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| CHEMBL3236549 | 2102 | 26 | None | 2 | 7 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| 11682208 | 8175 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 1 | 0 | 5 | 3.8 | CN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1092542 | 8175 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 1 | 0 | 5 | 3.8 | CN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 46885177 | 8030 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 282 | 2 | 1 | 5 | 2.5 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(C)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091729 | 8030 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 282 | 2 | 1 | 5 | 2.5 | CN[C@@H]1CCN(c2ncnc3c2oc2ccc(C)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 16656874 | 8007 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 288 | 2 | 1 | 5 | 2.4 | CNC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1091569 | 8007 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 288 | 2 | 1 | 5 | 2.4 | CNC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 46885298 | 8316 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 332 | 2 | 0 | 6 | 2.8 | COc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1093439 | 8316 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 332 | 2 | 0 | 6 | 2.8 | COc1nc(N2CCN(C)CC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2010.02.097 | ||
| 16656870 | 7625 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CNC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1088889 | 7625 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 302 | 2 | 1 | 5 | 2.8 | CNC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2010.02.097 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 71525681 | 89284 | 0 | None | 2 | 6 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376803 | 89284 | 0 | None | 2 | 6 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 71519674 | 89285 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376804 | 89285 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156015638 | 177687 | 0 | None | -158 | 4 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -158 | 4 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -158 | 4 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 119570 | 3098 | 90 | None | -301 | 40 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 2233 | 3098 | 90 | None | -301 | 40 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 953 | 3098 | 90 | None | -301 | 40 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL301265 | 3098 | 90 | None | -301 | 40 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| DB00413 | 3098 | 90 | None | -301 | 40 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 168268716 | 192150 | 0 | None | -3 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5170276 | 192150 | 0 | None | -3 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221176 | 192150 | 0 | None | -3 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268680 | 192154 | 0 | None | -2 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5172675 | 192154 | 0 | None | -2 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221210 | 192154 | 0 | None | -2 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268827 | 192167 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5179906 | 192167 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221314 | 192167 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268853 | 192173 | 0 | None | -83 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -83 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -83 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273471 | 192189 | 0 | None | -50 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173079 | 192189 | 0 | None | -50 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221433 | 192189 | 0 | None | -50 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273549 | 192191 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174342 | 192191 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221438 | 192191 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273640 | 192193 | 0 | None | -12 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192193 | 0 | None | -12 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192193 | 0 | None | -12 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273745 | 192196 | 0 | None | -11 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192196 | 0 | None | -11 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192196 | 0 | None | -11 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168274129 | 192197 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176780 | 192197 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221468 | 192197 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168275750 | 192214 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5175558 | 192214 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221581 | 192214 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168276867 | 192223 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174278 | 192223 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221653 | 192223 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168277996 | 192234 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173373 | 192234 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221736 | 192234 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168278471 | 192236 | 0 | None | -17 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192236 | 0 | None | -17 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192236 | 0 | None | -17 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168278543 | 192239 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184846 | 192239 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221764 | 192239 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168280339 | 192253 | 0 | None | -3 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5188592 | 192253 | 0 | None | -3 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221885 | 192253 | 0 | None | -3 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168281536 | 192269 | 0 | None | 2 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5189006 | 192269 | 0 | None | 2 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221966 | 192269 | 0 | None | 2 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168281746 | 192270 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168283097 | 192281 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5186770 | 192281 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222043 | 192281 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168283321 | 192283 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183015 | 192283 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222057 | 192283 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168283536 | 192288 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5187758 | 192288 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222074 | 192288 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168284289 | 192294 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5194860 | 192294 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222123 | 192294 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168284480 | 192298 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5197548 | 192298 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222137 | 192298 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168286141 | 192312 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5192993 | 192312 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222231 | 192312 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168286426 | 192314 | 0 | None | -109 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192314 | 0 | None | -109 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192314 | 0 | None | -109 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 192356 | 0 | None | -1071 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | -1071 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | -1071 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192361 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168291233 | 192367 | 0 | None | 5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200106 | 192367 | 0 | None | 5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222556 | 192367 | 0 | None | 5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168292954 | 192385 | 0 | None | -112 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192385 | 0 | None | -112 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192385 | 0 | None | -112 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294161 | 192394 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204739 | 192394 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222742 | 192394 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294445 | 192398 | 0 | None | -8 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208113 | 192398 | 0 | None | -8 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222768 | 192398 | 0 | None | -8 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294166 | 192402 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209081 | 192402 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222775 | 192402 | 0 | None | -4 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294449 | 192406 | 0 | None | -181 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | -181 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | -181 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192407 | 0 | None | -301 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | -301 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | -301 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294770 | 192408 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208327 | 192408 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222806 | 192408 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294776 | 192414 | 0 | None | 7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209479 | 192414 | 0 | None | 7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222831 | 192414 | 0 | None | 7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 192419 | 0 | None | -301 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | -301 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | -301 | 20 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294178 | 192423 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5205197 | 192423 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222887 | 192423 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295541 | 192428 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | -1071 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295543 | 192429 | 0 | None | -8 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209021 | 192429 | 0 | None | -8 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222929 | 192429 | 0 | None | -8 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295803 | 192433 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207206 | 192433 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222937 | 192433 | 0 | None | -6 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294182 | 192436 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208722 | 192436 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222960 | 192436 | 0 | None | -5 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 156015638 | 177687 | 0 | None | -158 | 4 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -158 | 4 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -158 | 4 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 71525679 | 89282 | 0 | None | 6 | 6 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376801 | 89282 | 0 | None | 6 | 6 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 155513612 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -2 | 4 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2013.02.091 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2013.02.091 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2013.02.091 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.2c00125 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.2c00125 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.2c00125 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.2c00125 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.2c00125 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.2c00125 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -2 | 4 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 56835171 | 69382 | 0 | None | 1 | 9 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1935574 | 69382 | 0 | None | 1 | 9 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 156013896 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -22 | 4 | Mouse | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 156015638 | 177687 | 0 | None | -58 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -58 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -58 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 156015638 | 177687 | 0 | None | -58 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -58 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -58 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 71525678 | 89281 | 0 | None | 5 | 6 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376800 | 89281 | 0 | None | 5 | 6 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 54587788 | 61191 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 277 | 4 | 3 | 5 | 1.9 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770975 | 61191 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 277 | 4 | 3 | 5 | 1.9 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 23653543 | 67691 | 2 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 317 | 1 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914541 | 67691 | 2 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 317 | 1 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 54587787 | 61187 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770971 | 61187 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 46235428 | 6511 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083162 | 6511 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 407 | 9 | 3 | 4 | 4.3 | Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 54586763 | 61184 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 277 | 3 | 2 | 5 | 1.9 | CN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770968 | 61184 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 277 | 3 | 2 | 5 | 1.9 | CN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24826169 | 67683 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 333 | 1 | 1 | 6 | 2.8 | CN1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914462 | 67683 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 333 | 1 | 1 | 6 | 2.8 | CN1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 16718567 | 8063 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1091874 | 8063 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24737950 | 67774 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 361 | 2 | 2 | 6 | 2.5 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Br)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914781 | 67774 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 361 | 2 | 2 | 6 | 2.5 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Br)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 58227148 | 116618 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393547 | 116618 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 57399746 | 67749 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 1 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914755 | 67749 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 1 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 54580885 | 61189 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 275 | 4 | 3 | 5 | 1.8 | CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770973 | 61189 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 275 | 4 | 3 | 5 | 1.8 | CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24826766 | 67744 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CNC1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914750 | 67744 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CNC1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 59777338 | 109626 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.3 | Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236556 | 109626 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.3 | Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 54581940 | 61208 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770992 | 61208 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24797598 | 61218 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1771001 | 61218 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 11224088 | 135921 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 4.9 | Cc1cc(C)c2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1 | 10.1021/jm800876b | ||
| CHEMBL373579 | 135921 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 4.9 | Cc1cc(C)c2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1 | 10.1021/jm800876b | ||
| 24798144 | 109623 | 2 | None | 19 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3236553 | 109623 | 2 | None | 19 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| 58227342 | 116605 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393534 | 116605 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 11224088 | 135921 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 4.9 | Cc1cc(C)c2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL373579 | 135921 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 4.9 | Cc1cc(C)c2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1 | 10.1016/j.bmcl.2006.08.117 | ||
| 24825998 | 67754 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 377 | 1 | 1 | 6 | 2.9 | CN1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914760 | 67754 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 377 | 1 | 1 | 6 | 2.9 | CN1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57396301 | 67776 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 351 | 2 | 2 | 6 | 2.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914783 | 67776 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 351 | 2 | 2 | 6 | 2.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 127050310 | 140291 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(C(C)(F)F)cc23)C1 | 10.1039/C6MD00108D | ||
| CHEMBL3819260 | 140291 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(C(C)(F)F)cc23)C1 | 10.1039/C6MD00108D | ||
| 46222048 | 8881 | 0 | None | -4 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2010.04.052 | ||
| CHEMBL1098230 | 8881 | 0 | None | -4 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2010.04.052 | ||
| 24994542 | 109624 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 261 | 3 | 2 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236554 | 109624 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 261 | 3 | 2 | 5 | 1.5 | CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24948752 | 67690 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 317 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CCCNCC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914540 | 67690 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 317 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CCCNCC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24825727 | 67692 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 303 | 1 | 2 | 6 | 2.0 | Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914542 | 67692 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 303 | 1 | 2 | 6 | 2.0 | Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46222048 | 8881 | 0 | None | -4 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | 10.1021/jm901890s | ||
| CHEMBL1098230 | 8881 | 0 | None | -4 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | 10.1021/jm901890s | ||
| 155524115 | 175963 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4454158 | 175963 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4597218 | 175963 | 0 | None | -2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| 24798144 | 109623 | 2 | None | 19 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236553 | 109623 | 2 | None | 19 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| 155524115 | 175963 | 0 | None | 1 | 3 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4454158 | 175963 | 0 | None | 1 | 3 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4597218 | 175963 | 0 | None | 1 | 3 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| 24797604 | 109622 | 2 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 261 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1 | 10.1021/jm401727m | ||
| CHEMBL3236552 | 109622 | 2 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 261 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1 | 10.1021/jm401727m | ||
| 44231618 | 5798 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1079516 | 5798 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| 25128824 | 192565 | 0 | None | 3 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| CHEMBL523225 | 192565 | 0 | None | 3 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| 24992077 | 109641 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.2 | CCCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236571 | 109641 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.2 | CCCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 44231618 | 5798 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1079516 | 5798 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| 44129130 | 197865 | 0 | None | 2 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL592379 | 197865 | 0 | None | 2 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 44187557 | 193817 | 0 | None | 3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 6 | 3 | 3 | 4.1 | N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202332 | 193817 | 0 | None | 3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 6 | 3 | 3 | 4.1 | N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL553423 | 193817 | 0 | None | 3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 6 | 3 | 3 | 4.1 | N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2016.09.049 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2016.09.049 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2016.09.049 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2016.09.049 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2016.09.049 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2016.09.049 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2011.03.046 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2011.03.046 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2011.03.046 | ||
| 16202258 | 67861 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 264 | 4 | 3 | 6 | 0.9 | CNC1CN(c2cc(NCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915536 | 67861 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 264 | 4 | 3 | 6 | 0.9 | CNC1CN(c2cc(NCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 66740859 | 109649 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 327 | 3 | 2 | 5 | 2.3 | CN[C@@H]1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236579 | 109649 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 327 | 3 | 2 | 5 | 2.3 | CN[C@@H]1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24798232 | 109630 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 1.9 | Nc1nc(C2CCCC2)cc(N2C[C@H]3CCCN[C@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236560 | 109630 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 1.9 | Nc1nc(C2CCCC2)cc(N2C[C@H]3CCCN[C@H]3C2)n1 | 10.1021/jm401727m | ||
| 44231735 | 7688 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 301 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1089390 | 7688 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 301 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| 25129527 | 186821 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL493720 | 186821 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 135525668 | 67855 | 0 | None | 263 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915348 | 67855 | 0 | None | 263 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 25217643 | 111665 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 0 | 5 | 1.9 | CN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290570 | 111665 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 0 | 5 | 1.9 | CN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10176414 | 3988 | 13 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1246 | 3988 | 13 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL281576 | 3988 | 13 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10060212 | 202819 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CCC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72769 | 202819 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CCC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681807 | 89202 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 330 | 8 | 3 | 8 | 1.6 | CC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375668 | 89202 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 330 | 8 | 3 | 8 | 1.6 | CC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 71681804 | 89227 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 336 | 6 | 3 | 8 | 1.6 | CN(CCNc1ccnc(N)n1)c1cc(-c2ccccc2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375770 | 89227 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 336 | 6 | 3 | 8 | 1.6 | CN(CCNc1ccnc(N)n1)c1cc(-c2ccccc2)nc(N)n1 | 10.1021/jm301886t | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
| 53233802 | 61203 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770987 | 61203 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 276 | 3 | 2 | 6 | 1.2 | CN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 70692529 | 75316 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 303 | 2 | 1 | 2 | 2.7 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC(N2CCCC2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047466 | 75316 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 303 | 2 | 1 | 2 | 2.7 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC(N2CCCC2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 46228994 | 197738 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 466 | 6 | 1 | 7 | 2.7 | CC1CCCCN1S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL591249 | 197738 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 466 | 6 | 1 | 7 | 2.7 | CC1CCCCN1S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmc.2009.04.007 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmc.2009.04.007 | ||
| 45268092 | 194330 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 352 | 6 | 3 | 3 | 3.6 | N=C(NCc1ccc(Br)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1743881 | 194330 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 352 | 6 | 3 | 3 | 3.6 | N=C(NCc1ccc(Br)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL560111 | 194330 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 352 | 6 | 3 | 3 | 3.6 | N=C(NCc1ccc(Br)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 45268093 | 194331 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 400 | 6 | 3 | 3 | 3.4 | N=C(NCc1ccc(I)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202321 | 194331 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 400 | 6 | 3 | 3 | 3.4 | N=C(NCc1ccc(I)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL560112 | 194331 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 400 | 6 | 3 | 3 | 3.4 | N=C(NCc1ccc(I)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 45267230 | 194798 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1ccccc1Cl)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202318 | 194798 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1ccccc1Cl)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL563342 | 194798 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1ccccc1Cl)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 24737954 | 67772 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 301 | 2 | 2 | 6 | 1.9 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(F)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914778 | 67772 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 301 | 2 | 2 | 6 | 1.9 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(F)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24826522 | 67779 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 2 | 6 | 3.1 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914786 | 67779 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 2 | 6 | 3.1 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24826168 | 67782 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914789 | 67782 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 71525680 | 89287 | 0 | None | 97 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 284 | 3 | 2 | 6 | 1.3 | CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376806 | 89287 | 0 | None | 97 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 284 | 3 | 2 | 6 | 1.3 | CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 71525678 | 89281 | 0 | None | 5 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376800 | 89281 | 0 | None | 5 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25101945 | 192494 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL522673 | 192494 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 136192886 | 56171 | 0 | None | -1 | 4 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 257 | 2 | 2 | 3 | 2.7 | CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632411 | 56171 | 0 | None | -1 | 4 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 257 | 2 | 2 | 3 | 2.7 | CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44129134 | 197817 | 0 | None | -22 | 2 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 384 | 5 | 2 | 7 | 0.7 | CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591969 | 197817 | 0 | None | -22 | 2 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 384 | 5 | 2 | 7 | 0.7 | CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 11694543 | 75432 | 4 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 167 | 6 | 2 | 2 | 1.3 | CCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL204843 | 75432 | 4 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 167 | 6 | 2 | 2 | 1.3 | CCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11521414 | 140753 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 221 | 6 | 2 | 2 | 2.7 | c1nc(CCCCNC2CCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL383324 | 140753 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 221 | 6 | 2 | 2 | 2.7 | c1nc(CCCCNC2CCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 9812843 | 203523 | 1 | None | -4 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1cncc(Cc2c[nH]cn2)c1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL78838 | 203523 | 1 | None | -4 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1cncc(Cc2c[nH]cn2)c1 | 10.1016/j.bmcl.2011.06.123 | ||
| 53233904 | 61181 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 261 | 2 | 1 | 5 | 1.0 | CN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770965 | 61181 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 261 | 2 | 1 | 5 | 1.0 | CN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 39732699 | 75313 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 247 | 1 | 2 | 2 | 1.4 | O=C(c1cc2cccc(F)c2[nH]1)N1CCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047463 | 75313 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 247 | 1 | 2 | 2 | 1.4 | O=C(c1cc2cccc(F)c2[nH]1)N1CCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70696623 | 75321 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 281 | 2 | 2 | 2 | 2.0 | CNC1CN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047471 | 75321 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 281 | 2 | 2 | 2 | 2.0 | CNC1CN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 51354298 | 58564 | 2 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 233 | 4 | 1 | 4 | 1.9 | CC(C)(C)c1cn(CCCc2c[nH]cn2)nn1 | 10.1021/jm1013488 | ||
| CHEMBL1688944 | 58564 | 2 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 233 | 4 | 1 | 4 | 1.9 | CC(C)(C)c1cn(CCCc2c[nH]cn2)nn1 | 10.1021/jm1013488 | ||
| 45267237 | 194518 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 302 | 7 | 3 | 3 | 3.2 | Cc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202320 | 194518 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 302 | 7 | 3 | 3 | 3.2 | Cc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL561451 | 194518 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 302 | 7 | 3 | 3 | 3.2 | Cc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| 53378933 | 109643 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 269 | 3 | 2 | 5 | 1.2 | Nc1nc(Cc2ccccc2)cc(N2CC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236573 | 109643 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 269 | 3 | 2 | 5 | 1.2 | Nc1nc(Cc2ccccc2)cc(N2CC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| 11087453 | 75277 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL2047270 | 75277 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| 44395335 | 66712 | 0 | None | 25 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 266 | 4 | 2 | 3 | 1.5 | CN(C)CCNC(=O)c1nc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL187210 | 66712 | 0 | None | 25 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 266 | 4 | 2 | 3 | 1.5 | CN(C)CCNC(=O)c1nc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 10978141 | 5066 | 1 | None | -4 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL105803 | 5066 | 1 | None | -4 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681477 | 89214 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 398 | 7 | 4 | 8 | 3.3 | Nc1nc(NCCNc2cc(-c3ccccc3)nc(N)n2)cc(-c2ccccc2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375758 | 89214 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 398 | 7 | 4 | 8 | 3.3 | Nc1nc(NCCNc2cc(-c3ccccc3)nc(N)n2)cc(-c2ccccc2)n1 | 10.1021/jm301886t | ||
| 71681802 | 89225 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 302 | 8 | 4 | 8 | 1.4 | CC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1 | 10.1021/jm301886t | ||
| CHEMBL2375769 | 89225 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 302 | 8 | 4 | 8 | 1.4 | CC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1 | 10.1021/jm301886t | ||
| 206876 | 18741 | 7 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL128637 | 18741 | 7 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66572107 | 75272 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047265 | 75272 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1016/j.ejmech.2012.06.016 | ||
| 66572115 | 75292 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.6 | CN1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047442 | 75292 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.6 | CN1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 11469514 | 103678 | 2 | None | -64 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cc(CCCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| CHEMBL309654 | 103678 | 2 | None | -64 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cc(CCCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| 46890591 | 6932 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 436 | 6 | 1 | 4 | 4.8 | Cc1cc(OCCCN2CC3CCCN(C)C3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084811 | 6932 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 436 | 6 | 1 | 4 | 4.8 | Cc1cc(OCCCN2CC3CCCN(C)C3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 44275807 | 98500 | 0 | None | -9120 | 10 | Human | 5.0 | pKi | = | 5 | 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 | -9120 | 10 | Human | 5.0 | pKi | = | 5 | 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 | ||
| 4242418 | 116916 | 11 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 229 | 2 | 1 | 2 | 1.9 | CN1CCN(Cc2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL339826 | 116916 | 11 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 229 | 2 | 1 | 2 | 1.9 | CN1CCN(Cc2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 71681978 | 89209 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.7 | CN(CCNc1ccnc(N)n1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm301886t | ||
| CHEMBL2375753 | 89209 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.7 | CN(CCNc1ccnc(N)n1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm301886t | ||
| 58227158 | 116620 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 249 | 4 | 1 | 5 | 1.3 | CC(C)CNc1cc(N2CCN(C)CC2)cnn1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393549 | 116620 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 249 | 4 | 1 | 5 | 1.3 | CC(C)CNc1cc(N2CCN(C)CC2)cnn1 | 10.1016/j.bmcl.2014.12.027 | ||
| 57391926 | 69544 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 270 | 1 | 1 | 3 | 1.2 | CN1C[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938967 | 69544 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 270 | 1 | 1 | 3 | 1.2 | CN1C[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 24854583 | 95663 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 304 | 2 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260372 | 95663 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 304 | 2 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 16082860 | 138069 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL377572 | 138069 | 0 | None | -7 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 57391032 | 67743 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 315 | 1 | 2 | 6 | 2.2 | Nc1nc(N2C[C@H]3C[C@@H]2CN3)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914749 | 67743 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 315 | 1 | 2 | 6 | 2.2 | Nc1nc(N2C[C@H]3C[C@@H]2CN3)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25179297 | 173249 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL453877 | 173249 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 24759518 | 178719 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 277 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL473302 | 178719 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 277 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178342 | 186194 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CN1CCN(c2nc(NCc3ccc(F)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL489070 | 186194 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CN1CCN(c2nc(NCc3ccc(F)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25179297 | 173249 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL453877 | 173249 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 25178342 | 186194 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CN1CCN(c2nc(NCc3ccc(F)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL489070 | 186194 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CN1CCN(c2nc(NCc3ccc(F)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 71518535 | 86046 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 5 | 2.6 | CN1CCN(c2nc(N(C)C)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314763 | 86046 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 5 | 2.6 | CN1CCN(c2nc(N(C)C)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 10978141 | 5066 | 1 | None | -4 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL105803 | 5066 | 1 | None | -4 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 57393730 | 67527 | 0 | None | -2754 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 5.0 | O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910386 | 67527 | 0 | None | -2754 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 5.0 | O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| 24826681 | 67762 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 303 | 1 | 2 | 6 | 2.0 | Nc1nc(N2CCNCC2)c2oc3cccc(Cl)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914768 | 67762 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 303 | 1 | 2 | 6 | 2.0 | Nc1nc(N2CCNCC2)c2oc3cccc(Cl)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 127049855 | 139685 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805220 | 139685 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 57391869 | 62775 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.6 | CC=CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774589 | 62775 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.6 | CC=CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789349 | 62775 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.6 | CC=CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 90645163 | 111685 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 298 | 2 | 1 | 6 | 1.5 | Cc1cc(C)cc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290590 | 111685 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 298 | 2 | 1 | 6 | 1.5 | Cc1cc(C)cc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2014.06.032 | ||
| 10656971 | 16229 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL123137 | 16229 | 4 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 121238070 | 165923 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 4 | 1 | 7 | 1.4 | CN1CCN(c2nc(N)nc(COc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL4278404 | 165923 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 4 | 1 | 7 | 1.4 | CN1CCN(c2nc(N)nc(COc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 25178555 | 173657 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL454891 | 173657 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178555 | 173657 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL454891 | 173657 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 4 | 1 | 7 | 3.1 | CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 155540201 | 172329 | 0 | None | -67 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 16 | 2 | 4 | 5.5 | N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccc(Cl)cc1 | 10.1039/C8MD00527C | ||
| CHEMBL4516173 | 172329 | 0 | None | -67 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 16 | 2 | 4 | 5.5 | N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccc(Cl)cc1 | 10.1039/C8MD00527C | ||
| 1278 | 2110 | 79 | None | -281 | 8 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | -281 | 8 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | -281 | 8 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | -281 | 8 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 832283 | 12277 | 6 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL118572 | 12277 | 6 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 832283 | 12277 | 6 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL118572 | 12277 | 6 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 10269628 | 138174 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 355 | 1 | 0 | 4 | 4.6 | CC(C)N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL377985 | 138174 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 355 | 1 | 0 | 4 | 4.6 | CC(C)N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 54582866 | 61204 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(N)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770988 | 61204 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(N)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25133970 | 186995 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 1 | 6 | 0.5 | CN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL494679 | 186995 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 250 | 1 | 1 | 6 | 0.5 | CN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| 49841962 | 69370 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3c(-c4ccoc4)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935562 | 69370 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3c(-c4ccoc4)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 44547568 | 116601 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 248 | 6 | 2 | 4 | 2.1 | CCCCNc1cc(N2CC[C@H](NC)C2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393530 | 116601 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 248 | 6 | 2 | 4 | 2.1 | CCCCNc1cc(N2CC[C@H](NC)C2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| 13731320 | 158092 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 320 | 2 | 2 | 2 | 4.0 | O=C(Nc1cccc2ccccc12)N1CCC(c2c[nH]cn2)CC1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4092578 | 158092 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 320 | 2 | 2 | 2 | 4.0 | O=C(Nc1cccc2ccccc12)N1CCC(c2c[nH]cn2)CC1 | 10.1016/j.ejmech.2016.09.074 | ||
| 127035837 | 136879 | 0 | None | -5 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 3.7 | CN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753334 | 136879 | 0 | None | -5 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 3.7 | CN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 21842421 | 111666 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 270 | 2 | 1 | 6 | 0.9 | CN1CCN(c2nc(N)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290571 | 111666 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 270 | 2 | 1 | 6 | 0.9 | CN1CCN(c2nc(N)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 10688021 | 155558 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 332 | 8 | 1 | 3 | 4.3 | O=C(/C=C/c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4063170 | 155558 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 332 | 8 | 1 | 3 | 4.3 | O=C(/C=C/c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 9944571 | 116503 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL338937 | 116503 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 9944571 | 116503 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL338937 | 116503 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 23650961 | 3773 | 18 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | nan | ||
| 9276 | 3773 | 18 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | nan | ||
| CHEMBL3301609 | 3773 | 18 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | nan | ||
| DB12522 | 3773 | 18 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | nan | ||
| 24803710 | 149784 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 6 | 2 | 5 | 4.1 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(F)c(F)ccc2[nH]1 | nan | ||
| CHEMBL3953011 | 149784 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 6 | 2 | 5 | 4.1 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(F)c(F)ccc2[nH]1 | nan | ||
| 25101945 | 192494 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL522673 | 192494 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 118720437 | 115400 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 275 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354811 | 115400 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 275 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 24737952 | 67777 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 313 | 3 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(OC)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914784 | 67777 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 313 | 3 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(OC)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 9944571 | 116503 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338937 | 116503 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 24996854 | 109634 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 2.0 | Nc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236564 | 109634 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 287 | 2 | 2 | 5 | 2.0 | Nc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1 | 10.1021/jm401727m | ||
| 71603142 | 89277 | 0 | None | 54 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 257 | 3 | 2 | 5 | 1.2 | CCc1ccc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376796 | 89277 | 0 | None | 54 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 257 | 3 | 2 | 5 | 1.2 | CCc1ccc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 44129282 | 197510 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)cc(Cl)c3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL589746 | 197510 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)cc(Cl)c3n2)CC1 | 10.1021/jm901379s | ||
| 71603139 | 89274 | 0 | None | 13 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 269 | 2 | 2 | 5 | 1.5 | Nc1nc(N2CCNCC2)c2ccc(C3CC3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376793 | 89274 | 0 | None | 13 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 269 | 2 | 2 | 5 | 1.5 | Nc1nc(N2CCNCC2)c2ccc(C3CC3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| 45257132 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 8983 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595180 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 44450493 | 96074 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 278 | 1 | 1 | 4 | 1.3 | CN1CCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1 | 10.1021/jm7014217 | ||
| CHEMBL262859 | 96074 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 278 | 1 | 1 | 4 | 1.3 | CN1CCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1 | 10.1021/jm7014217 | ||
| 1278 | 2110 | 79 | None | -4 | 8 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -4 | 8 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -4 | 8 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -4 | 8 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 126963283 | 160404 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 311 | 1 | 1 | 3 | 4.2 | CO[C@@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| CHEMBL4115677 | 160404 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 311 | 1 | 1 | 3 | 4.2 | CO[C@@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| 1224 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1399 | 79 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 1241 | 1998 | 46 | None | -89 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 10.1016/j.bmcl.2016.09.049 | ||
| 1242 | 1998 | 46 | None | -89 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 10.1016/j.bmcl.2016.09.049 | ||
| 3614 | 1998 | 46 | None | -89 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 10.1016/j.bmcl.2016.09.049 | ||
| CHEMBL507 | 1998 | 46 | None | -89 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 10.1016/j.bmcl.2016.09.049 | ||
| 49841609 | 69364 | 13 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 321 | 1 | 1 | 5 | 1.7 | CN1CCN(c2nc(N)nc3c(Br)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935556 | 69364 | 13 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 321 | 1 | 1 | 5 | 1.7 | CN1CCN(c2nc(N)nc3c(Br)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 51354871 | 58582 | 0 | None | -22 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 290 | 6 | 0 | 4 | 3.3 | c1c(CC2CCCCC2)nnn1CCCN1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL1688982 | 58582 | 0 | None | -22 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 290 | 6 | 0 | 4 | 3.3 | c1c(CC2CCCCC2)nnn1CCCN1CCCCC1 | 10.1021/jm1013488 | ||
| 164618508 | 185340 | 0 | None | -363 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4869194 | 185340 | 0 | None | -363 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164620678 | 185427 | 0 | None | -177 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4870510 | 185427 | 0 | None | -177 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 58227159 | 175801 | 0 | None | 47 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.7 | CN1CCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4534254 | 175801 | 0 | None | 47 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.7 | CN1CCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595907 | 175801 | 0 | None | 47 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.7 | CN1CCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 122193099 | 123387 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 374 | 3 | 1 | 6 | 2.1 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Br)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628046 | 123387 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 374 | 3 | 1 | 6 | 2.1 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Br)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 51354008 | 58559 | 0 | None | -3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 5 | 1 | 4 | 1.8 | c1ccc(Cc2cn(CCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| CHEMBL1688939 | 58559 | 0 | None | -3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 5 | 1 | 4 | 1.8 | c1ccc(Cc2cn(CCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| 51354586 | 58579 | 0 | None | -15 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 273 | 5 | 1 | 4 | 2.9 | CC(c1cn(CCc2c[nH]cn2)nn1)C1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL1688978 | 58579 | 0 | None | -15 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 273 | 5 | 1 | 4 | 2.9 | CC(c1cn(CCc2c[nH]cn2)nn1)C1CCCCC1 | 10.1021/jm1013488 | ||
| 16082824 | 77579 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 261 | 5 | 2 | 2 | 3.0 | Clc1ccc(CNC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL209598 | 77579 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 261 | 5 | 2 | 2 | 3.0 | Clc1ccc(CNC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 54585778 | 61205 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 252 | 4 | 3 | 7 | -0.8 | CN1CCN(c2cc(N)nc(NCCO)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770989 | 61205 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 252 | 4 | 3 | 7 | -0.8 | CN1CCN(c2cc(N)nc(NCCO)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 58227165 | 116607 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 235 | 3 | 1 | 5 | 1.0 | CC(C)Nc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393536 | 116607 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 235 | 3 | 1 | 5 | 1.0 | CC(C)Nc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 24853664 | 95881 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 3 | 0 | 5 | 4.5 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261517 | 95881 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 3 | 0 | 5 | 4.5 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 10773349 | 7992 | 1 | None | -11 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL109130 | 7992 | 1 | None | -11 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 10715857 | 74651 | 1 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 3.5 | O=C(CCCc1ccc(I)cc1)OCCCc1c[nH]cn1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL20338 | 74651 | 1 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 3.5 | O=C(CCCc1ccc(I)cc1)OCCCc1c[nH]cn1 | 10.1016/j.ejmech.2016.09.074 | ||
| 16082820 | 79693 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 261 | 5 | 2 | 2 | 3.0 | Clc1ccc(CNC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL213250 | 79693 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 261 | 5 | 2 | 2 | 3.0 | Clc1ccc(CNC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 10776393 | 5407 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 7 | 2 | 3 | 2.1 | CC[C@H](C)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1076267 | 5407 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 7 | 2 | 3 | 2.1 | CC[C@H](C)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL156912 | 5407 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 7 | 2 | 3 | 2.1 | CC[C@H](C)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 118725542 | 116608 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393537 | 116608 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 90645161 | 111683 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 306 | 2 | 1 | 6 | 1.2 | CN1CCN(c2nc(N)nc(-c3cc(F)cc(F)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290588 | 111683 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 306 | 2 | 1 | 6 | 1.2 | CN1CCN(c2nc(N)nc(-c3cc(F)cc(F)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 45257132 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 8983 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595180 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 10.1016/j.bmc.2009.08.059 | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1016/j.bmcl.2014.12.027 | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1016/j.bmcl.2014.12.027 | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 24994635 | 109640 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(C(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236570 | 109640 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(C(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24826442 | 67750 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 313 | 2 | 1 | 7 | 1.7 | COc1ccc2oc3c(N4CCN(C)CC4)nc(N)nc3c2c1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914756 | 67750 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 313 | 2 | 1 | 7 | 1.7 | COc1ccc2oc3c(N4CCN(C)CC4)nc(N)nc3c2c1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1226 | 1980 | 16 | None | 2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1021/jm0341047 | ||
| 41376 | 1980 | 16 | None | 2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1021/jm0341047 | ||
| CHEMBL12608 | 1980 | 16 | None | 2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1021/jm0341047 | ||
| 24745335 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 71603135 | 89270 | 0 | None | 26 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 297 | 2 | 2 | 5 | 2.3 | Nc1nc(N2CCNCC2)c2ccc(C3CCCC3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376789 | 89270 | 0 | None | 26 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 297 | 2 | 2 | 5 | 2.3 | Nc1nc(N2CCNCC2)c2ccc(C3CCCC3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| 71525589 | 89288 | 0 | None | 11 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 6 | 1.5 | CN[C@@H]1CCN(c2nc(N)nc3cc(C(C)C)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376807 | 89288 | 0 | None | 11 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 286 | 3 | 2 | 6 | 1.5 | CN[C@@H]1CCN(c2nc(N)nc3cc(C(C)C)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 24745335 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 8985 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL1915540 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| DB15027 | 292 | 7 | None | -4 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.6019/CHEMBL5058644 | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 3035746 | 187587 | 6 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL1237146 | 187587 | 6 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL498770 | 187587 | 6 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1253 | 2019 | 7 | None | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 132937 | 2019 | 7 | None | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL19010 | 2019 | 7 | None | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 1253 | 2019 | 7 | None | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 132937 | 2019 | 7 | None | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| CHEMBL19010 | 2019 | 7 | None | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
| 11065080 | 19221 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129488 | 19221 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 66573460 | 75301 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 2 | 2 | 2.2 | Cc1cc(Cl)cc2cc(C(=O)N3CCNCC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047451 | 75301 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 2 | 2 | 2.2 | Cc1cc(Cl)cc2cc(C(=O)N3CCNCC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 21638785 | 188063 | 4 | None | -4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL503605 | 188063 | 4 | None | -4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 44129132 | 197843 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 6 | 1 | 7 | 1.3 | CN1CCN(c2nc(NCCS(=O)(=O)N(C)C)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL592188 | 197843 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 6 | 1 | 7 | 1.3 | CN1CCN(c2nc(NCCS(=O)(=O)N(C)C)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 10176414 | 3988 | 13 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| 1246 | 3988 | 13 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL281576 | 3988 | 13 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 184 | 4 | 3 | 3 | 1.0 | NC(=N)SCCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| 45267233 | 193228 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 304 | 7 | 3 | 4 | 2.8 | COc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202319 | 193228 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 304 | 7 | 3 | 4 | 2.8 | COc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL541171 | 193228 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 304 | 7 | 3 | 4 | 2.8 | COc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25128823 | 192105 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 267 | 1 | 2 | 5 | 1.0 | Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL521995 | 192105 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 267 | 1 | 2 | 5 | 1.0 | Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2 | 10.1021/jm800670r | ||
| 127050431 | 139772 | 0 | None | 4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806206 | 139772 | 0 | None | 4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 11451949 | 67688 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 384 | 6 | 1 | 4 | 3.9 | CN1CCN(CCCOc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914533 | 67688 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 384 | 6 | 1 | 4 | 3.9 | CN1CCN(CCCOc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46228126 | 200916 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.4 | CN1CCN(c2cc(NCc3ccc(C(F)(F)F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL612131 | 200916 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.4 | CN1CCN(c2cc(NCc3ccc(C(F)(F)F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 60150166 | 174142 | 0 | None | -323 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 524 | 17 | 2 | 6 | 4.7 | N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 | 10.1039/C8MD00527C | ||
| CHEMBL4560123 | 174142 | 0 | None | -323 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 524 | 17 | 2 | 6 | 4.7 | N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 | 10.1039/C8MD00527C | ||
| 168295543 | 192429 | 0 | None | -8 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209021 | 192429 | 0 | None | -8 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222929 | 192429 | 0 | None | -8 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164610648 | 184245 | 0 | None | -120 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4852212 | 184245 | 0 | None | -120 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10820930 | 5707 | 0 | None | 1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL107877 | 5707 | 0 | None | 1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@H]1C=C[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 24826443 | 67764 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914770 | 67764 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 10800875 | 6188 | 0 | None | -75 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCC(C)CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1081718 | 6188 | 0 | None | -75 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCC(C)CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL345828 | 6188 | 0 | None | -75 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCC(C)CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 24745335 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 24745335 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 8985 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL1915540 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| DB15027 | 292 | 7 | None | -22 | 5 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 1223 | 938 | 32 | None | -363 | 11 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -363 | 11 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -363 | 11 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 10800875 | 6188 | 0 | None | -75 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCC(C)CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1081718 | 6188 | 0 | None | -75 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCC(C)CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL345828 | 6188 | 0 | None | -75 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCC(C)CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 11206058 | 103923 | 9 | None | -10 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1ccc(CCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| CHEMBL310360 | 103923 | 9 | None | -10 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1ccc(CCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0603318 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0603318 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0603318 | ||
| 3062060 | 10268 | 5 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 221 | 4 | 6 | 3 | -1.0 | N=C(N)NCc1cccc(CNC(=N)N)n1 | 10.1021/jm7014777 | ||
| CHEMBL1162346 | 10268 | 5 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 221 | 4 | 6 | 3 | -1.0 | N=C(N)NCc1cccc(CNC(=N)N)n1 | 10.1021/jm7014777 | ||
| 11511026 | 15845 | 0 | None | -208 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL1223683 | 15845 | 0 | None | -208 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl | 10.1016/j.ejmech.2016.09.074 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 10106063 | 108770 | 6 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL321860 | 108770 | 6 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/acs.jmedchem.6b00120 | ||
| 24826000 | 67786 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 2 | 2 | 6 | 3.2 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914793 | 67786 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 2 | 2 | 6 | 3.2 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm100064d | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm100064d | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm100064d | ||
| 1278 | 2110 | 79 | None | -4 | 8 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -4 | 8 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -4 | 8 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -4 | 8 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 10106063 | 108770 | 6 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL321860 | 108770 | 6 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 9974306 | 202759 | 0 | None | -15 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72372 | 202759 | 0 | None | -15 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 56849569 | 71253 | 0 | None | -77 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 7 | 2 | 4 | 4.4 | N#Cc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1923033 | 71253 | 0 | None | -77 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 7 | 2 | 4 | 4.4 | N#Cc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1963332 | 71253 | 0 | None | -77 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 7 | 2 | 4 | 4.4 | N#Cc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 11499453 | 75843 | 0 | None | -79 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 209 | 8 | 2 | 2 | 2.4 | CC(C)CNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL205834 | 75843 | 0 | None | -79 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 209 | 8 | 2 | 2 | 2.4 | CC(C)CNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11672850 | 76305 | 2 | None | -10 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 7 | 2 | 2 | 2.1 | CC(C)NCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL206451 | 76305 | 2 | None | -10 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 7 | 2 | 2 | 2.1 | CC(C)NCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.04.007 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.04.007 | ||
| 10106063 | 108770 | 6 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL321860 | 108770 | 6 | None | 16 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 5310982 | 93166 | 4 | None | -1348 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 255 | 3 | 2 | 2 | 2.6 | NCCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL24665 | 93166 | 4 | None | -1348 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 255 | 3 | 2 | 2 | 2.6 | NCCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681975 | 89206 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 296 | 5 | 4 | 5 | 1.4 | Nc1nccc(NCCNC(=O)c2cc3ccccc3[nH]2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375750 | 89206 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 296 | 5 | 4 | 5 | 1.4 | Nc1nccc(NCCNC(=O)c2cc3ccccc3[nH]2)n1 | 10.1021/jm301886t | ||
| 71681642 | 89221 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 9 | 4 | 8 | 3.1 | CC(C)CNc1nc(NCCNc2ccnc(N)n2)cc(-c2ccccc2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375765 | 89221 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 9 | 4 | 8 | 3.1 | CC(C)CNc1nc(NCCNc2ccnc(N)n2)cc(-c2ccccc2)n1 | 10.1021/jm301886t | ||
| 11286909 | 203563 | 2 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1ccc(CCCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| CHEMBL79126 | 203563 | 2 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1ccc(CCCc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| 10678661 | 5275 | 1 | None | -61 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106931 | 5275 | 1 | None | -61 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 11043445 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632410 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 168294449 | 192406 | 0 | None | -181 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | -181 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | -181 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 66572111 | 75278 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 1.8 | CC(=O)c1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047271 | 75278 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 1.8 | CC(=O)c1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| 118720435 | 115399 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 225 | 3 | 2 | 5 | 0.3 | CN[C@@H]1CCN(c2cc(CF)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354809 | 115399 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 225 | 3 | 2 | 5 | 0.3 | CN[C@@H]1CCN(c2cc(CF)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 90645151 | 111667 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccccc3Cl)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290572 | 111667 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccccc3Cl)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 16082833 | 79922 | 0 | None | -23 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL214312 | 79922 | 0 | None | -23 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| 54584826 | 61209 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770993 | 61209 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 57395538 | 67854 | 0 | None | 151 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915347 | 67854 | 0 | None | 151 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57395538 | 67854 | 0 | None | 151 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915347 | 67854 | 0 | None | 151 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 25178343 | 172012 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 3.5 | CN1CCN(c2nc(NCc3ccc(C#N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL448962 | 172012 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 3.5 | CN1CCN(c2nc(NCc3ccc(C#N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178343 | 172012 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 3.5 | CN1CCN(c2nc(NCc3ccc(C#N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL448962 | 172012 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 3.5 | CN1CCN(c2nc(NCc3ccc(C#N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 57403269 | 67760 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 349 | 1 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc3c4cc(Cl)ccc4[s+]([O-])c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914766 | 67760 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 349 | 1 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc3c4cc(Cl)ccc4[s+]([O-])c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24854705 | 95652 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 321 | 3 | 0 | 6 | 2.6 | CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260274 | 95652 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 321 | 3 | 0 | 6 | 2.6 | CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1 | 10.1021/jm7014217 | ||
| 164619208 | 185070 | 0 | None | -446 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864852 | 185070 | 0 | None | -446 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
| 10678661 | 5275 | 1 | None | -61 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106931 | 5275 | 1 | None | -61 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 57402929 | 69509 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938844 | 69509 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| 57392827 | 67766 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CCNCC2)c2oc3ccc(C(F)(F)F)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914772 | 67766 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CCNCC2)c2oc3ccc(C(F)(F)F)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 58227163 | 175879 | 0 | None | 40 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4518374 | 175879 | 0 | None | 40 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596491 | 175879 | 0 | None | 40 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 2 | 5 | 1.7 | CC(C)(C)CNc1nccc(N2CCCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 16082856 | 80686 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL215628 | 80686 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 46929647 | 16564 | 0 | None | -91 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 355 | 5 | 2 | 3 | 4.3 | FC(F)(F)c1ccc(SC[C@H](c2c[nH]cn2)C2CCNCC2)cc1 | 10.1021/jm100643t | ||
| CHEMBL1243394 | 16564 | 0 | None | -91 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 355 | 5 | 2 | 3 | 4.3 | FC(F)(F)c1ccc(SC[C@H](c2c[nH]cn2)C2CCNCC2)cc1 | 10.1021/jm100643t | ||
| 11858011 | 158445 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 337 | 9 | 0 | 3 | 4.6 | O=C(c1ccccc1)c1ccc(OCCCCCN2CCCC2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4096444 | 158445 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 337 | 9 | 0 | 3 | 4.6 | O=C(c1ccccc1)c1ccc(OCCCCCN2CCCC2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 16352 | 116670 | 11 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL339414 | 116670 | 11 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 11240759 | 104721 | 5 | None | -190 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cc(CCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| CHEMBL311473 | 104721 | 5 | None | -190 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cc(CCc2c[nH]cn2)ccn1 | 10.1021/jm049932u | ||
| 24853662 | 95616 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 326 | 3 | 0 | 5 | 3.1 | CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260043 | 95616 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 326 | 3 | 0 | 5 | 3.1 | CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1 | 10.1021/jm7014217 | ||
| 54584378 | 62814 | 0 | None | -50 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CC/C=C/CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774595 | 62814 | 0 | None | -50 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CC/C=C/CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789782 | 62814 | 0 | None | -50 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CC/C=C/CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 164626153 | 185786 | 0 | None | -6456 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4875600 | 185786 | 0 | None | -6456 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 54583874 | 61202 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N)nc(N3CCCC3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770986 | 61202 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N)nc(N3CCCC3)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54584378 | 62814 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CC/C=C/CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774595 | 62814 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CC/C=C/CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789782 | 62814 | 0 | None | -50 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CC/C=C/CCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 46890122 | 7277 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 9 | 2 | 5 | 4.3 | Cc1cc(OCCCNCCc2cn(C)cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086344 | 7277 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 9 | 2 | 5 | 4.3 | Cc1cc(OCCCNCCc2cn(C)cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 155568016 | 175454 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 4 | 1 | 6 | 1.1 | CCC(CC)c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4590367 | 175454 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 4 | 1 | 6 | 1.1 | CCC(CC)c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 58227319 | 116611 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@H]1CCN(c2ccnc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393540 | 116611 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@H]1CCN(c2ccnc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 56849571 | 71254 | 0 | None | -117 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 4.5 | O=[N+]([O-])c1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1923034 | 71254 | 0 | None | -117 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 4.5 | O=[N+]([O-])c1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1963347 | 71254 | 0 | None | -117 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 4.5 | O=[N+]([O-])c1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 25179126 | 172831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)o1 | 10.1021/jm800876b | ||
| CHEMBL452849 | 172831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)o1 | 10.1021/jm800876b | ||
| 25179126 | 172831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)o1 | 10.1021/jm901379s | ||
| CHEMBL452849 | 172831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)o1 | 10.1021/jm901379s | ||
| 164609729 | 184505 | 0 | None | -2187 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856059 | 184505 | 0 | None | -2187 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164622886 | 185350 | 0 | None | -131 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4869389 | 185350 | 0 | None | -131 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164626509 | 185743 | 0 | None | -3 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874969 | 185743 | 0 | None | -3 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 11043445 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL1632410 | 56170 | 1 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 11609325 | 14346 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2nc3c(Cl)cc(Cl)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL120221 | 14346 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2nc3c(Cl)cc(Cl)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 24825796 | 67738 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | NC[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914744 | 67738 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | NC[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46228100 | 198323 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 315 | 4 | 1 | 6 | 2.1 | CN1CCN(c2cc(SCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595413 | 198323 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 315 | 4 | 1 | 6 | 2.1 | CN1CCN(c2cc(SCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 44628631 | 67767 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.7 | Nc1nc(N2CCNCC2)c2oc3c(Cl)cc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914773 | 67767 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.7 | Nc1nc(N2CCNCC2)c2oc3c(Cl)cc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 71525679 | 89282 | 0 | None | -9 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376801 | 89282 | 0 | None | -9 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| 24853594 | 95678 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 4 | 0 | 5 | 3.3 | Cc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| CHEMBL260470 | 95678 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 4 | 0 | 5 | 3.3 | Cc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| 44414495 | 79594 | 0 | None | -34 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 404 | 5 | 0 | 2 | 6.3 | CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CC(C)CC(C)C4)cc3)cc2)C1 | 10.1016/j.bmc.2008.10.029 | ||
| CHEMBL212869 | 79594 | 0 | None | -34 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 404 | 5 | 0 | 2 | 6.3 | CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CC(C)CC(C)C4)cc3)cc2)C1 | 10.1016/j.bmc.2008.10.029 | ||
| 127026017 | 136820 | 0 | None | -12 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 3.6 | COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752972 | 136820 | 0 | None | -12 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 3.6 | COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| 164614907 | 183991 | 0 | None | -436 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848697 | 183991 | 0 | None | -436 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 57390263 | 67830 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 330 | 1 | 2 | 7 | 1.8 | Nc1nc(N2CC3CCNC3C2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915052 | 67830 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 330 | 1 | 2 | 7 | 1.8 | Nc1nc(N2CC3CCNC3C2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 9900313 | 19211 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129444 | 19211 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 9900313 | 19211 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL129444 | 19211 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 46890592 | 6300 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082296 | 6300 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 9900313 | 19211 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129444 | 19211 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3cc(F)cc(F)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 156013896 | 177655 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 25129523 | 186694 | 40 | None | -1 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL492884 | 186694 | 40 | None | -1 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 1249 | 1970 | 14 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | ||
| 13499360 | 1970 | 14 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | ||
| CHEMBL90019 | 1970 | 14 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
| 137655927 | 158330 | 0 | None | 17 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 7 | 2 | 3 | 5.2 | O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4095224 | 158330 | 0 | None | 17 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 7 | 2 | 3 | 5.2 | O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1016/j.ejmech.2016.09.074 | ||
| 71603141 | 89276 | 0 | None | 14 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 257 | 2 | 2 | 5 | 1.2 | CCc1ccc2c(N3CCNCC3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376795 | 89276 | 0 | None | 14 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 257 | 2 | 2 | 5 | 1.2 | CCc1ccc2c(N3CCNCC3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 54585779 | 61207 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770991 | 61207 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25179303 | 188747 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 317 | 2 | 1 | 5 | 2.6 | CNc1nc(N2CCN3CCCC3C2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| CHEMBL512568 | 188747 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 317 | 2 | 1 | 5 | 2.6 | CNc1nc(N2CCN3CCCC3C2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| 51354304 | 58573 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 287 | 7 | 1 | 4 | 3.1 | c1nc(CCCn2cc(CCC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688972 | 58573 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 287 | 7 | 1 | 4 | 3.1 | c1nc(CCCn2cc(CCC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 71519016 | 86028 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 322 | 2 | 2 | 5 | 2.3 | CN1CCCN(c2nc(N)nc3[nH]c(-c4ccccc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314501 | 86028 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 322 | 2 | 2 | 5 | 2.3 | CN1CCCN(c2nc(N)nc3[nH]c(-c4ccccc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 71518859 | 86054 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 294 | 2 | 3 | 5 | 1.6 | Nc1nc(N2CCNCC2)c2cc(-c3ccccc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314772 | 86054 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 294 | 2 | 3 | 5 | 1.6 | Nc1nc(N2CCNCC2)c2cc(-c3ccccc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 156014317 | 177692 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 10 | 1 | 3 | 8.2 | Cc1cc(OCCC[n+]2c(C)cc(/C=C/C=C/c3ccc(N(C)C)cc3)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4634728 | 177692 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 10 | 1 | 3 | 8.2 | Cc1cc(OCCC[n+]2c(C)cc(/C=C/C=C/c3ccc(N(C)C)cc3)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650854 | 177692 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 10 | 1 | 3 | 8.2 | Cc1cc(OCCC[n+]2c(C)cc(/C=C/C=C/c3ccc(N(C)C)cc3)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 11724853 | 96559 | 0 | None | -19 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 340 | 0 | 0 | 4 | 3.7 | CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL266723 | 96559 | 0 | None | -19 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 340 | 0 | 0 | 4 | 3.7 | CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1 | 10.1021/jm051008s | ||
| 57398985 | 67526 | 0 | None | -1122 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 569 | 12 | 2 | 7 | 4.4 | COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910385 | 67526 | 0 | None | -1122 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 569 | 12 | 2 | 7 | 4.4 | COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 118725539 | 116594 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 2 | 0 | 4 | 1.8 | CN1CCN(c2ccnc(N3CCCCC3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393523 | 116594 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 2 | 0 | 4 | 1.8 | CN1CCN(c2ccnc(N3CCCCC3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 16082822 | 79555 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 233 | 5 | 2 | 2 | 2.7 | c1nc([C@@H]2C[C@H]2CNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL212705 | 79555 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 233 | 5 | 2 | 2 | 2.7 | c1nc([C@@H]2C[C@H]2CNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| 46228160 | 198167 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 308 | 3 | 0 | 6 | 1.6 | CN1CCN(c2ncnc3c2ncn3Cc2ccccc2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594468 | 198167 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 308 | 3 | 0 | 6 | 1.6 | CN1CCN(c2ncnc3c2ncn3Cc2ccccc2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 2306318 | 86566 | 12 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1039/C5MD00022J | ||
| CHEMBL232421 | 86566 | 12 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1039/C5MD00022J | ||
| 127036980 | 136809 | 0 | None | -16 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752885 | 136809 | 0 | None | -16 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 57391033 | 67763 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 287 | 1 | 2 | 6 | 1.5 | Nc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914769 | 67763 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 287 | 1 | 2 | 6 | 1.5 | Nc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm0341047 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm0341047 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm0341047 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm0341047 | ||
| 24797248 | 198174 | 2 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 324 | 2 | 1 | 6 | 1.4 | CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594490 | 198174 | 2 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 324 | 2 | 1 | 6 | 1.4 | CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 9951970 | 5411 | 1 | None | -81 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 3 | 3.0 | CCCCC[C@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1076300 | 5411 | 1 | None | -81 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 3 | 3.0 | CCCCC[C@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL154797 | 5411 | 1 | None | -81 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 3 | 3.0 | CCCCC[C@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 121238066 | 166128 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 334 | 3 | 2 | 8 | -1.0 | CN1CCN(c2nc(N)nc(CN3C(=O)NC(C)(C)C3=O)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL4282283 | 166128 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 334 | 3 | 2 | 8 | -1.0 | CN1CCN(c2nc(N)nc(CN3C(=O)NC(C)(C)C3=O)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 10860228 | 116322 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL338001 | 116322 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 10860228 | 116322 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338001 | 116322 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 3840250 | 136081 | 16 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 282 | 1 | 0 | 5 | 2.4 | Cc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1 | 10.1039/C5MD00022J | ||
| CHEMBL3739776 | 136081 | 16 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 282 | 1 | 0 | 5 | 2.4 | Cc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1 | 10.1039/C5MD00022J | ||
| 56851447 | 71266 | 0 | None | -144 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 7 | 2 | 3 | 5.9 | Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1Cl | 10.1021/jm201042n | ||
| CHEMBL1923026 | 71266 | 0 | None | -144 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 7 | 2 | 3 | 5.9 | Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1Cl | 10.1021/jm201042n | ||
| CHEMBL1963433 | 71266 | 0 | None | -144 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 7 | 2 | 3 | 5.9 | Clc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1Cl | 10.1021/jm201042n | ||
| 90645157 | 111679 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 334 | 3 | 1 | 7 | 1.5 | COc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1Cl | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290584 | 111679 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 334 | 3 | 1 | 7 | 1.5 | COc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1Cl | 10.1016/j.ejmech.2014.06.032 | ||
| 2971762 | 192614 | 4 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 347 | 5 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL523617 | 192614 | 4 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 347 | 5 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 44450401 | 155578 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 278 | 3 | 2 | 4 | 2.0 | O=c1[nH]c2ccc(Cl)cc2nc1NCN1CCCC1 | 10.1021/jm7014217 | ||
| CHEMBL406345 | 155578 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 278 | 3 | 2 | 4 | 2.0 | O=c1[nH]c2ccc(Cl)cc2nc1NCN1CCCC1 | 10.1021/jm7014217 | ||
| 2971762 | 192614 | 4 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 347 | 5 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL523617 | 192614 | 4 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 347 | 5 | 1 | 5 | 3.0 | CN1CCN(c2nc(NCCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 164622190 | 185024 | 0 | None | -93 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864067 | 185024 | 0 | None | -93 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 54586762 | 61183 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 297 | 4 | 2 | 5 | 2.0 | CN1CCN(c2cc(N)nc(NCc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770967 | 61183 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 297 | 4 | 2 | 5 | 2.0 | CN1CCN(c2cc(N)nc(NCc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 136066109 | 198740 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 289 | 6 | 2 | 2 | 3.7 | Cc1[nH]cnc1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1 | 10.1016/j.bmc.2009.12.046 | ||
| 46231557 | 198740 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 289 | 6 | 2 | 2 | 3.7 | Cc1[nH]cnc1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1 | 10.1016/j.bmc.2009.12.046 | ||
| CHEMBL598291 | 198740 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 289 | 6 | 2 | 2 | 3.7 | Cc1[nH]cnc1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1 | 10.1016/j.bmc.2009.12.046 | ||
| 5477514 | 10267 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 4 | 4 | 5 | 2.6 | C/N=C(\N)N/N=C(/C)c1ccc2sc3ccc(/C(C)=N\N/C(N)=N/C)cc3c2c1 | 10.1021/jm7014777 | ||
| CHEMBL1162345 | 10267 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 4 | 4 | 5 | 2.6 | C/N=C(\N)N/N=C(/C)c1ccc2sc3ccc(/C(C)=N\N/C(N)=N/C)cc3c2c1 | 10.1021/jm7014777 | ||
| 24826083 | 67790 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914797 | 67790 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 10988959 | 117592 | 4 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL340740 | 117592 | 4 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 4906599 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL436381 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 10988959 | 117592 | 4 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL340740 | 117592 | 4 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 4906599 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL436381 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 57391819 | 69378 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 3 | 1 | 6 | 2.8 | CC(=O)c1cccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)c1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935570 | 69378 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 3 | 1 | 6 | 2.8 | CC(=O)c1cccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)c1 | 10.1016/j.bmcl.2011.10.104 | ||
| 53233801 | 61201 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770985 | 61201 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 10988959 | 117592 | 4 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL340740 | 117592 | 4 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 4906599 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL436381 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 71519674 | 89285 | 0 | None | -1 | 5 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376804 | 89285 | 0 | None | -1 | 5 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 56835171 | 69382 | 0 | None | 1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1935574 | 69382 | 0 | None | 1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2013.02.091 | ||
| 71603138 | 89273 | 0 | None | 32 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 285 | 2 | 2 | 5 | 1.9 | CNC1CN(c2nc(N)nc3cc(C(C)(C)C)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376792 | 89273 | 0 | None | 32 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 285 | 2 | 2 | 5 | 1.9 | CNC1CN(c2nc(N)nc3cc(C(C)(C)C)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25128822 | 186888 | 0 | None | -10 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1021/jm800670r | ||
| CHEMBL494093 | 186888 | 0 | None | -10 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1021/jm800670r | ||
| 44129214 | 197512 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 7 | 2 | 7 | 3.7 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Br)c(Cl)cc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL589782 | 197512 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 7 | 2 | 7 | 3.7 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Br)c(Cl)cc3n2)CC1 | 10.1021/jm901379s | ||
| 136192874 | 56174 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632414 | 56174 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25147772 | 172827 | 4 | None | 1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL452847 | 172827 | 4 | None | 1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 136192874 | 56174 | 0 | None | -1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632414 | 56174 | 0 | None | -1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm201042n | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm201042n | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm201042n | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm201042n | ||
| 10967174 | 19227 | 3 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129540 | 19227 | 3 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70681963 | 75320 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 2 | 1 | 2 | 2.9 | O=C(c1cc2cc(Cl)cc(F)c2[nH]1)N1CC(N2CCCC2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047470 | 75320 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 2 | 1 | 2 | 2.9 | O=C(c1cc2cc(Cl)cc(F)c2[nH]1)N1CC(N2CCCC2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 4906599 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL436381 | 168086 | 10 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014217 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014217 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014217 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014217 | ||
| 3035746 | 187587 | 6 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1237146 | 187587 | 6 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL498770 | 187587 | 6 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| 45269820 | 193669 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202326 | 193669 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL551790 | 193669 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 6 | 3 | 3 | 3.5 | N=C(NCc1cccc(Cl)c1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm051008s | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm051008s | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm051008s | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm051008s | ||
| 155491015 | 175911 | 3 | None | -15 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4441731 | 175911 | 3 | None | -15 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4596734 | 175911 | 3 | None | -15 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| 25129525 | 186990 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1039/C2MD20212C | ||
| CHEMBL494648 | 186990 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 299 | 3 | 1 | 6 | 1.5 | COc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1039/C2MD20212C | ||
| 46228125 | 198295 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(c2cc(NCc3ccc(Cl)c(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595215 | 198295 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(c2cc(NCc3ccc(Cl)c(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46890020 | 7272 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 8 | 3 | 4 | 4.5 | Cc1cc(OCCCNCC2CCCCN2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086327 | 7272 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 410 | 8 | 3 | 4 | 4.5 | Cc1cc(OCCCNCC2CCCCN2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 42641407 | 197695 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3c(Cl)cc(Cl)cc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591013 | 197695 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3c(Cl)cc(Cl)cc3n2)CC1 | 10.1021/jm901379s | ||
| 127036981 | 136912 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753621 | 136912 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 135570464 | 178509 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 278 | 1 | 1 | 5 | 1.7 | CN1CCN(c2nc(O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL471712 | 178509 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 278 | 1 | 1 | 5 | 1.7 | CN1CCN(c2nc(O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 51354297 | 58563 | 0 | None | -5 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 289 | 6 | 1 | 6 | 0.4 | CN1CCN(Cc2cn(CCCc3c[nH]cn3)nn2)CC1 | 10.1021/jm1013488 | ||
| CHEMBL1688943 | 58563 | 0 | None | -5 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 289 | 6 | 1 | 6 | 0.4 | CN1CCN(Cc2cn(CCCc3c[nH]cn3)nn2)CC1 | 10.1021/jm1013488 | ||
| 46890074 | 6510 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 6.2 | Cc1cc(OCCCCCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083160 | 6510 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 6.2 | Cc1cc(OCCCCCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 10107667 | 62820 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 7 | 2 | 3 | 3.0 | O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774599 | 62820 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 7 | 2 | 3 | 3.0 | O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789800 | 62820 | 0 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 7 | 2 | 3 | 3.0 | O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 25178755 | 176290 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 317 | 2 | 1 | 5 | 2.6 | CNc1nc(N2CCN3CCC[C@H]3C2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| CHEMBL461537 | 176290 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 317 | 2 | 1 | 5 | 2.6 | CNc1nc(N2CCN3CCC[C@H]3C2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| 24759518 | 178719 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL473302 | 178719 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 118720439 | 115406 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 246 | 2 | 2 | 4 | 2.2 | Nc1nc(C2CCCC2)cc(C2CCNCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354817 | 115406 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 246 | 2 | 2 | 4 | 2.2 | Nc1nc(C2CCCC2)cc(C2CCNCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| 24853527 | 166862 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 4 | 0 | 6 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2cccc(N(C)C)c2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL429691 | 166862 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 4 | 0 | 6 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2cccc(N(C)C)c2)CC1 | 10.1021/jm7014217 | ||
| 10107667 | 62820 | 0 | None | -6 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 279 | 7 | 2 | 3 | 3.0 | O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774599 | 62820 | 0 | None | -6 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 279 | 7 | 2 | 3 | 3.0 | O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789800 | 62820 | 0 | None | -6 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 279 | 7 | 2 | 3 | 3.0 | O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 10760516 | 62827 | 0 | None | -9 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 1.9 | O=C(NCCC1CC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774598 | 62827 | 0 | None | -9 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 1.9 | O=C(NCCC1CC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789829 | 62827 | 0 | None | -9 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 1.9 | O=C(NCCC1CC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 127050431 | 139772 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806206 | 139772 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 10760516 | 62827 | 0 | None | -9 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 1.9 | O=C(NCCC1CC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774598 | 62827 | 0 | None | -9 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 1.9 | O=C(NCCC1CC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789829 | 62827 | 0 | None | -9 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 1.9 | O=C(NCCC1CC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 57391034 | 67787 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 3 | 2 | 7 | 2.2 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914794 | 67787 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 3 | 2 | 7 | 2.2 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57396299 | 67752 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 1 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914758 | 67752 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 319 | 1 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57396300 | 67769 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 305 | 1 | 2 | 6 | 1.6 | Nc1nc(N2CCNCC2)c2oc3ccc(F)c(F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914775 | 67769 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 305 | 1 | 2 | 6 | 1.6 | Nc1nc(N2CCNCC2)c2oc3ccc(F)c(F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46228161 | 198208 | 12 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 233 | 1 | 2 | 6 | -0.3 | CN1CCN(c2nc(N)nc3[nH]cnc23)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594694 | 198208 | 12 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 233 | 1 | 2 | 6 | -0.3 | CN1CCN(c2nc(N)nc3[nH]cnc23)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 1223 | 938 | 32 | None | -363 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -363 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -363 | 11 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 11615601 | 74655 | 0 | None | -10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 235 | 6 | 1 | 2 | 3.0 | c1nc(CCCCCN2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL203390 | 74655 | 0 | None | -10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 235 | 6 | 1 | 2 | 3.0 | c1nc(CCCCCN2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 11600849 | 140001 | 0 | None | -31 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.1 | CCCNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL381074 | 140001 | 0 | None | -31 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.1 | CCCNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 66572108 | 75273 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3c(O)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047266 | 75273 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3c(O)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 9965450 | 75279 | 3 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047272 | 75279 | 3 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 45268970 | 194499 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 8 | 3 | 4 | 2.9 | COc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202325 | 194499 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 8 | 3 | 4 | 2.9 | COc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL561369 | 194499 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 8 | 3 | 4 | 2.9 | COc1ccc(CCNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| 45267238 | 194546 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 7 | 4 | 2 | 3.5 | N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL561651 | 194546 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 7 | 4 | 2 | 3.5 | N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 127050019 | 140221 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.3 | CN[C@H]1CCN(c2nc(N)nc3c2CCC3)C1 | 10.1039/C6MD00108D | ||
| CHEMBL3818355 | 140221 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.3 | CN[C@H]1CCN(c2nc(N)nc3c2CCC3)C1 | 10.1039/C6MD00108D | ||
| 1194 | 46 | 3 | None | -1318 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 10.1016/j.bmcl.2010.10.041 | ||
| 23786499 | 46 | 3 | None | -1318 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL26116 | 46 | 3 | None | -1318 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 10.1016/j.bmcl.2010.10.041 | ||
| 127035835 | 136748 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752270 | 136748 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 70690368 | 75311 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.3 | Cc1cccc2cc(C(=O)N3CCCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047461 | 75311 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.3 | Cc1cccc2cc(C(=O)N3CCCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 24854707 | 95835 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 3 | 0 | 5 | 3.3 | CN1CCN(c2nc3ccccc3nc2Oc2ccc(F)cc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261222 | 95835 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 3 | 0 | 5 | 3.3 | CN1CCN(c2nc3ccccc3nc2Oc2ccc(F)cc2)CC1 | 10.1021/jm7014217 | ||
| 57390224 | 67520 | 0 | None | -776 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 503 | 8 | 1 | 5 | 4.7 | COc1ccc(CN(CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910379 | 67520 | 0 | None | -776 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 503 | 8 | 1 | 5 | 4.7 | COc1ccc(CN(CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 4905344 | 35094 | 9 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2cc(C(=O)N3CCN(C)CC3)[nH]c2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL1437043 | 35094 | 9 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2cc(C(=O)N3CCN(C)CC3)[nH]c2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70690367 | 75309 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 287 | 2 | 1 | 3 | 2.0 | COc1cccc2cc(C(=O)N3CCCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047459 | 75309 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 287 | 2 | 1 | 3 | 2.0 | COc1cccc2cc(C(=O)N3CCCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 59777309 | 109652 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.3 | CN[C@@H]1CCN(c2nc(N)nc3c2CCC3)C1 | 10.1021/jm401727m | ||
| CHEMBL3236581 | 109652 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.3 | CN[C@@H]1CCN(c2nc(N)nc3c2CCC3)C1 | 10.1021/jm401727m | ||
| 57400777 | 67852 | 0 | None | 426 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915345 | 67852 | 0 | None | 426 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 56835171 | 69382 | 0 | None | 1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935574 | 69382 | 0 | None | 1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| 3035746 | 187587 | 6 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL1237146 | 187587 | 6 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL498770 | 187587 | 6 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
| 53378928 | 115401 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2cc(CCC(F)(F)F)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354812 | 115401 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2cc(CCC(F)(F)F)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 44547564 | 116602 | 2 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 3 | 1 | 4 | 2.2 | CN1CCN(c2ccnc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393531 | 116602 | 2 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 3 | 1 | 4 | 2.2 | CN1CCN(c2ccnc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 57400777 | 67852 | 0 | None | 426 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915345 | 67852 | 0 | None | 426 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 1 | 1 | 2 | 2.5 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57400738 | 67827 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 1 | 2 | 7 | 1.5 | Nc1nc(N2CC[C@@H](N)C2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915049 | 67827 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 1 | 2 | 7 | 1.5 | Nc1nc(N2CC[C@@H](N)C2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 56851445 | 71282 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 8 | 2 | 3 | 3.8 | CCCCN/C(=N/C1CCCC1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1923025 | 71282 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 8 | 2 | 3 | 3.8 | CCCCN/C(=N/C1CCCC1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1963551 | 71282 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 8 | 2 | 3 | 3.8 | CCCCN/C(=N/C1CCCC1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| 71603194 | 89278 | 0 | None | 35 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 271 | 3 | 2 | 5 | 1.6 | CCc1ccc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376797 | 89278 | 0 | None | 35 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 271 | 3 | 2 | 5 | 1.6 | CCc1ccc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 45257133 | 198212 | 0 | None | 19 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594721 | 198212 | 0 | None | 19 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 155540438 | 171964 | 0 | None | 7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 290 | 3 | 1 | 6 | 1.3 | CN1CCN(c2nc(N)nc(CC3CCCCC3)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4483783 | 171964 | 0 | None | 7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 290 | 3 | 1 | 6 | 1.3 | CN1CCN(c2nc(N)nc(CC3CCCCC3)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| 57394625 | 67960 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 7 | 2 | 6 | 1.7 | COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916493 | 67960 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 7 | 2 | 6 | 1.7 | COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O | 10.1016/j.bmcl.2011.07.114 | ||
| 124087 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1357 | 106 | None | -5888 | 15 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 54587791 | 61199 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 250 | 3 | 2 | 6 | 0.6 | CC(C)Nc1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770983 | 61199 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 250 | 3 | 2 | 6 | 0.6 | CC(C)Nc1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 10515050 | 6157 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCCC(C)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1081541 | 6157 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCCC(C)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL350478 | 6157 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.5 | CCCC(C)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 73355143 | 91424 | 0 | None | -22 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 323 | 8 | 2 | 4 | 2.8 | O=C(NCCOc1ccccc1Cl)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL2413362 | 91424 | 0 | None | -22 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 323 | 8 | 2 | 4 | 2.8 | O=C(NCCOc1ccccc1Cl)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 56678756 | 65283 | 3 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 5 | 1 | 4 | 4.2 | CCC(=O)N[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 | nan | ||
| CHEMBL1834199 | 65283 | 3 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 5 | 1 | 4 | 4.2 | CCC(=O)N[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 | nan | ||
| 137634349 | 155462 | 0 | None | -741 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 4.7 | CC(=O)c1ccc(OCc2ccc(CN3CCCC(C)C3)cc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4062122 | 155462 | 0 | None | -741 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 4.7 | CC(=O)c1ccc(OCc2ccc(CN3CCCC(C)C3)cc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 164626370 | 185881 | 0 | None | -14 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876799 | 185881 | 0 | None | -14 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 155568977 | 175568 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 6 | 3 | 3 | 2.6 | c1ccc2[nH]c(CNCC[C@@H]3C[C@H]3c3c[nH]cn3)nc2c1 | 10.1016/j.bmcl.2018.10.041 | ||
| CHEMBL4592695 | 175568 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 6 | 3 | 3 | 2.6 | c1ccc2[nH]c(CNCC[C@@H]3C[C@H]3c3c[nH]cn3)nc2c1 | 10.1016/j.bmcl.2018.10.041 | ||
| 24854706 | 95519 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 3 | 0 | 5 | 4.5 | CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL259536 | 95519 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 3 | 0 | 5 | 4.5 | CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm7014217 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| 46929554 | 16560 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.7 | FC(F)(F)c1ccc(SCC(c2ccncc2)c2c[nH]cn2)cc1 | 10.1021/jm100643t | ||
| CHEMBL1243367 | 16560 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.7 | FC(F)(F)c1ccc(SCC(c2ccncc2)c2c[nH]cn2)cc1 | 10.1021/jm100643t | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 49841608 | 69373 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 1 | 1 | 5 | 1.7 | CN1CCN(c2nc(N)nc3cc(Br)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935565 | 69373 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 321 | 1 | 1 | 5 | 1.7 | CN1CCN(c2nc(N)nc3cc(Br)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014777 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014777 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014777 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm7014777 | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 45379805 | 197737 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 438 | 6 | 1 | 7 | 1.9 | CN1CCN(c2nc(NCCS(=O)(=O)N3CCCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591248 | 197737 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 438 | 6 | 1 | 7 | 1.9 | CN1CCN(c2nc(NCCS(=O)(=O)N3CCCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 164585473 | 183969 | 0 | None | -3 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4848380 | 183969 | 0 | None | -3 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 71519177 | 86043 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 312 | 2 | 3 | 5 | 1.9 | Nc1nc(N2CC[C@@H](N)C2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314760 | 86043 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 312 | 2 | 3 | 5 | 1.9 | Nc1nc(N2CC[C@@H](N)C2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 112936262 | 136739 | 1 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 389 | 6 | 1 | 6 | 3.5 | COc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752195 | 136739 | 1 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 389 | 6 | 1 | 6 | 3.5 | COc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| 1403136 | 179917 | 7 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL475331 | 179917 | 7 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 164611143 | 184123 | 0 | None | -75 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4850448 | 184123 | 0 | None | -75 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
| 137646744 | 157266 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 10 | 1 | 5 | 3.0 | O=C(CCNC(=O)C(Cc1ccccc1)Cn1ccnc1)OCc1ccccc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4083336 | 157266 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 10 | 1 | 5 | 3.0 | O=C(CCNC(=O)C(Cc1ccccc1)Cn1ccnc1)OCc1ccccc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 56835171 | 69382 | 0 | None | -10 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935574 | 69382 | 0 | None | -10 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| 90645149 | 111669 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 6 | 1.2 | Cc1cccc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290574 | 111669 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 6 | 1.2 | Cc1cccc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2014.06.032 | ||
| 46890021 | 7273 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 2 | 4 | 4.8 | Cc1cc(OCCCNCC2CCCCN2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086328 | 7273 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 2 | 4 | 4.8 | Cc1cc(OCCCNCC2CCCCN2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 118725541 | 116599 | 2 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.0 | CCCCNc1cc(N2CCN(C)CC2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393528 | 116599 | 2 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.0 | CCCCNc1cc(N2CCN(C)CC2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| 16082858 | 79667 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL213133 | 79667 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| 45379809 | 197698 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 420 | 5 | 1 | 8 | 2.1 | CN1CCN(c2nc(NCCN3C(=O)CSC3=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591027 | 197698 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 420 | 5 | 1 | 8 | 2.1 | CN1CCN(c2nc(NCCN3C(=O)CSC3=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
| 10575070 | 67524 | 0 | None | -79 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 439 | 7 | 1 | 3 | 4.7 | O=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910383 | 67524 | 0 | None | -79 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 439 | 7 | 1 | 3 | 4.7 | O=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| 164622330 | 185270 | 0 | None | -724 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4867962 | 185270 | 0 | None | -724 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.6b00120 | ||
| 122193098 | 123386 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 364 | 3 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)c(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628045 | 123386 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 364 | 3 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)c(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 90645162 | 111684 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 2 | 1 | 6 | 1.3 | CN1CCN(c2nc(N)nc(-c3cc(F)c(F)c(F)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290589 | 111684 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 2 | 1 | 6 | 1.3 | CN1CCN(c2nc(N)nc(-c3cc(F)c(F)c(F)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 24745507 | 67863 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 302 | 5 | 3 | 6 | 1.2 | CNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915538 | 67863 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 302 | 5 | 3 | 6 | 1.2 | CNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 45257133 | 198212 | 0 | None | 19 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594721 | 198212 | 0 | None | 19 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 24826165 | 67757 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 333 | 1 | 1 | 6 | 2.8 | CN1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914763 | 67757 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 333 | 1 | 1 | 6 | 2.8 | CN1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.09.001 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.09.001 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.09.001 | ||
| 3032915 | 15306 | 20 | None | -1 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm0341047 | ||
| CHEMBL12160 | 15306 | 20 | None | -1 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm0341047 | ||
| 127052294 | 139759 | 0 | None | 5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806079 | 139759 | 0 | None | 5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 57394550 | 67759 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 2 | 1 | 7 | 2.2 | COc1ccc2c(c1)sc1c(N3CCN(C)CC3)nc(N)nc12 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914765 | 67759 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 2 | 1 | 7 | 2.2 | COc1ccc2c(c1)sc1c(N3CCN(C)CC3)nc(N)nc12 | 10.1016/j.bmcl.2011.08.014 | ||
| 51354009 | 58560 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 6 | 1 | 4 | 2.2 | c1ccc(Cc2cn(CCCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| CHEMBL1688940 | 58560 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 6 | 1 | 4 | 2.2 | c1ccc(Cc2cn(CCCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| 156011119 | 176538 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 841 | 18 | 4 | 6 | 8.7 | Cc1cc(OCCCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6ccc[nH]6)n5[B-]4(F)F)C=C3)cc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4633688 | 176538 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 841 | 18 | 4 | 6 | 8.7 | Cc1cc(OCCCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6ccc[nH]6)n5[B-]4(F)F)C=C3)cc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 51354296 | 58562 | 0 | None | -4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 1.6 | c1nc(CCCn2cc(CN3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688942 | 58562 | 0 | None | -4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 1.6 | c1nc(CCCn2cc(CN3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| 756701 | 198125 | 29 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 218 | 1 | 1 | 5 | 0.1 | CN1CCN(c2ncnc3[nH]cnc23)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594152 | 198125 | 29 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 218 | 1 | 1 | 5 | 0.1 | CN1CCN(c2ncnc3[nH]cnc23)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 63868328 | 173669 | 2 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 236 | 3 | 1 | 6 | 0.2 | CCCc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4549015 | 173669 | 2 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 236 | 3 | 1 | 6 | 0.2 | CCCc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 58227381 | 176032 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.3 | CC(C)(C)CNc1nccc(N2CCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4513989 | 176032 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.3 | CC(C)(C)CNc1nccc(N2CCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597817 | 176032 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.3 | CC(C)(C)CNc1nccc(N2CCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25128822 | 186888 | 0 | None | -10 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL494093 | 186888 | 0 | None | -10 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 25179124 | 173651 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CCN(C)CC3)nc12 | 10.1021/jm800876b | ||
| CHEMBL454883 | 173651 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CCN(C)CC3)nc12 | 10.1021/jm800876b | ||
| 25179122 | 192660 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 3.9 | CN1CCN(c2nc(NCc3ccc(F)c(F)c3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL523941 | 192660 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 3.9 | CN1CCN(c2nc(NCc3ccc(F)c(F)c3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25179124 | 173651 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CCN(C)CC3)nc12 | 10.1021/jm901379s | ||
| CHEMBL454883 | 173651 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.5 | Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CCN(C)CC3)nc12 | 10.1021/jm901379s | ||
| 25179122 | 192660 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 3.9 | CN1CCN(c2nc(NCc3ccc(F)c(F)c3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL523941 | 192660 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 3.9 | CN1CCN(c2nc(NCc3ccc(F)c(F)c3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 1265 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
| 6422124 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
| CHEMBL14638 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | ||
| 24994634 | 2102 | 26 | None | -21 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | -21 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | -21 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 24994634 | 2102 | 26 | None | -21 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 8984 | 2102 | 26 | None | -21 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL3236549 | 2102 | 26 | None | -21 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL4520788 | 212215 | 6 | None | -89 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 54581937 | 61179 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.3 | CC(C)N(C)c1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770963 | 61179 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.3 | CC(C)N(C)c1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 137646939 | 157184 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 335 | 5 | 3 | 4 | 3.6 | CC(C)(CN=C(c1ccccc1O)c1ccccc1O)c1c[nH]cn1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4082297 | 157184 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 335 | 5 | 3 | 4 | 3.6 | CC(C)(CN=C(c1ccccc1O)c1ccccc1O)c1c[nH]cn1 | 10.1016/j.ejmech.2016.09.074 | ||
| 9878733 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL338051 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 9878733 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL338051 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 49841610 | 69374 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 319 | 2 | 1 | 5 | 2.6 | CN1CCN(c2nc(N)nc3cc(-c4ccccc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935566 | 69374 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 319 | 2 | 1 | 5 | 2.6 | CN1CCN(c2nc(N)nc3cc(-c4ccccc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 44547127 | 115405 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 44547127 | 115405 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3354816 | 115405 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354816 | 115405 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 234 | 4 | 2 | 4 | 1.7 | CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 24739219 | 67696 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 1 | 2 | 6 | 1.8 | Nc1nc(N2CC(N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914546 | 67696 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 1 | 2 | 6 | 1.8 | Nc1nc(N2CC(N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24826265 | 67755 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 317 | 1 | 1 | 6 | 2.3 | CN1CCN(c2nc(N)nc3c2sc2ccc(F)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914761 | 67755 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 317 | 1 | 1 | 6 | 2.3 | CN1CCN(c2nc(N)nc3c2sc2ccc(F)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 9992865 | 113915 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 1 | 1 | 3 | 1.1 | CN1CCN(C(=O)c2nc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL333220 | 113915 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 1 | 1 | 3 | 1.1 | CN1CCN(C(=O)c2nc3cc(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 9878733 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338051 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 2063135 | 8278 | 9 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL1093180 | 8278 | 9 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 44129213 | 197692 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)c(Cl)cc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL590995 | 197692 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)c(Cl)cc3n2)CC1 | 10.1021/jm901379s | ||
| 71525681 | 89284 | 0 | None | -2 | 6 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376803 | 89284 | 0 | None | -2 | 6 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 136141537 | 56172 | 1 | None | 2 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632412 | 56172 | 1 | None | 2 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136030655 | 56173 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632413 | 56173 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049475h | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049475h | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049475h | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm201042n | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm201042n | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm201042n | ||
| 11673377 | 138719 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 7 | 2 | 2 | 3.2 | Clc1ccc(CNCCCCc2c[nH]cn2)cc1 | 10.1021/jm0504353 | ||
| CHEMBL379027 | 138719 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 7 | 2 | 2 | 3.2 | Clc1ccc(CNCCCCc2c[nH]cn2)cc1 | 10.1021/jm0504353 | ||
| 25129523 | 186694 | 40 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL492884 | 186694 | 40 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 66572114 | 75283 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047276 | 75283 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70690369 | 75323 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 1 | 2 | 2 | 2.0 | O=C(c1cc2cc(Cl)cc(F)c2[nH]1)N1CCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047473 | 75323 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 1 | 2 | 2 | 2.0 | O=C(c1cc2cc(Cl)cc(F)c2[nH]1)N1CCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 9878733 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL338051 | 116331 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 11846298 | 138738 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccc(F)cc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL379102 | 138738 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccc(F)cc32)CC1 | 10.1021/jm051008s | ||
| 155538989 | 175745 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 263 | 4 | 3 | 5 | 2.1 | CC(C)(C)CNc1nccc(NC2CCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4513421 | 175745 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 263 | 4 | 3 | 5 | 2.1 | CC(C)(C)CNc1nccc(NC2CCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595438 | 175745 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 263 | 4 | 3 | 5 | 2.1 | CC(C)(C)CNc1nccc(NC2CCNCC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 164608815 | 183862 | 0 | None | -47 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846638 | 183862 | 0 | None | -47 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 164611342 | 184495 | 0 | None | -416 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856005 | 184495 | 0 | None | -416 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 155513612 | 175736 | 0 | None | -2 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -2 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -2 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -2 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 156015838 | 177661 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 1 | 2 | 4.3 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4640263 | 177661 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 1 | 2 | 4.3 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650622 | 177661 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 1 | 2 | 4.3 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 127036982 | 136929 | 0 | None | -3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 5.9 | COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753784 | 136929 | 0 | None | -3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 5.9 | COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| 57393769 | 67813 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 1 | 2 | 6 | 1.5 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915030 | 67813 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 1 | 2 | 6 | 1.5 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 11688307 | 69545 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 2 | 1 | 3 | 2.2 | CCN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938968 | 69545 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 2 | 1 | 3 | 2.2 | CCN1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 136141537 | 56172 | 1 | None | -10 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632412 | 56172 | 1 | None | -10 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44395364 | 66550 | 0 | None | 15 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.3 | CN1CCC(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL186456 | 66550 | 0 | None | 15 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.3 | CN1CCC(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 10037650 | 5123 | 0 | None | 31 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106158 | 5123 | 0 | None | 31 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
| 11572015 | 74665 | 0 | None | -50 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 209 | 9 | 2 | 2 | 2.5 | CCCCNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL203441 | 74665 | 0 | None | -50 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 209 | 9 | 2 | 2 | 2.5 | CCCCNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11600780 | 75681 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 181 | 6 | 2 | 2 | 1.7 | CC(C)NCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL205732 | 75681 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 181 | 6 | 2 | 2 | 1.7 | CC(C)NCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 1408942 | 64777 | 4 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)ncn2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL1824046 | 64777 | 4 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)ncn2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| 25129527 | 186821 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL493720 | 186821 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 66573462 | 75303 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 2 | 2 | 2 | 2.2 | CNC1CN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047453 | 75303 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 2 | 2 | 2 | 2.2 | CNC1CN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 767246 | 95558 | 4 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.7 | Cc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL259745 | 95558 | 4 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.7 | Cc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 155550732 | 176045 | 0 | None | -794 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 8 | 0 | 2 | 5.4 | c1ccc(-c2ccc(OCCCCCN3CCCCC3)cc2)cc1 | 10.1016/j.bmc.2017.07.058 | ||
| CHEMBL4540849 | 176045 | 0 | None | -794 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 8 | 0 | 2 | 5.4 | c1ccc(-c2ccc(OCCCCCN3CCCCC3)cc2)cc1 | 10.1016/j.bmc.2017.07.058 | ||
| CHEMBL4597895 | 176045 | 0 | None | -794 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 8 | 0 | 2 | 5.4 | c1ccc(-c2ccc(OCCCCCN3CCCCC3)cc2)cc1 | 10.1016/j.bmc.2017.07.058 | ||
| 11313837 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1254 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL175782 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 11313837 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049475h | ||
| 1254 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049475h | ||
| CHEMBL175782 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049475h | ||
| 71681480 | 89217 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 7 | 2.0 | Nc1nc(NCCNc2ccncn2)cc(-c2ccccc2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375761 | 89217 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 7 | 2.0 | Nc1nc(NCCNc2ccncn2)cc(-c2ccccc2)n1 | 10.1021/jm301886t | ||
| 57392460 | 69508 | 0 | None | 14 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL1938843 | 69508 | 0 | None | 14 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66572104 | 75269 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3ccncc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047262 | 75269 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3ccncc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66572112 | 75281 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3ccc([N+](=O)[O-])cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047274 | 75281 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3ccc([N+](=O)[O-])cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 44395361 | 66591 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 293 | 1 | 2 | 3 | 2.0 | CN1CCN(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL186640 | 66591 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 293 | 1 | 2 | 3 | 2.0 | CN1CCN(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 10879463 | 5203 | 0 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106570 | 5203 | 0 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10945113 | 109128 | 1 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL322256 | 109128 | 1 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 127035836 | 136980 | 0 | None | -5 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 3.9 | Cc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3754176 | 136980 | 0 | None | -5 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 3.9 | Cc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| 164618283 | 183951 | 0 | None | -537 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848026 | 183951 | 0 | None | -537 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 53233805 | 61180 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.5 | CC(C)CNc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770964 | 61180 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.5 | CC(C)CNc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54585781 | 61217 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1771000 | 61217 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 118720442 | 115408 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 261 | 3 | 3 | 5 | 1.4 | Nc1cc(N2CCNCC2)cc(NC2CCCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354820 | 115408 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 261 | 3 | 3 | 5 | 1.4 | Nc1cc(N2CCNCC2)cc(NC2CCCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| 44547268 | 116597 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 248 | 5 | 2 | 4 | 1.9 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393526 | 116597 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 248 | 5 | 2 | 4 | 1.9 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227255 | 116610 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393539 | 116610 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227252 | 116615 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393544 | 116615 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 25112105 | 8064 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1091875 | 8064 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24737949 | 67775 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 301 | 2 | 2 | 6 | 1.9 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914782 | 67775 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 301 | 2 | 2 | 6 | 1.9 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24825996 | 67781 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914788 | 67781 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 59777341 | 109646 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 275 | 3 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236576 | 109646 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 275 | 3 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 1278 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 1279 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 4908365 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| CHEMBL129198 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 53257796 | 109645 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 247 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236575 | 109645 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 247 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24738269 | 67693 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 303 | 1 | 2 | 6 | 2.1 | Nc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914543 | 67693 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 303 | 1 | 2 | 6 | 2.1 | Nc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 44231735 | 7688 | 0 | None | -1 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 301 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1089390 | 7688 | 0 | None | -1 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 301 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| 44462956 | 5508 | 0 | None | 2 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 2 | 2 | 5 | 3.1 | Nc1nc2c(c(N3CC4CCCNC4C3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1077276 | 5508 | 0 | None | 2 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 2 | 2 | 5 | 3.1 | Nc1nc2c(c(N3CC4CCCNC4C3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| 1278 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 1278 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 1279 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 1279 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 4908365 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| 4908365 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| CHEMBL129198 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8005959 | ||
| CHEMBL129198 | 2110 | 79 | None | 3 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800670r | ||
| 137657169 | 159028 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 337 | 8 | 1 | 4 | 4.1 | O=[N+]([O-])c1cccc(C(OCCCc2c[nH]cn2)c2ccccc2)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4102970 | 159028 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 337 | 8 | 1 | 4 | 4.1 | O=[N+]([O-])c1cccc(C(OCCCc2c[nH]cn2)c2ccccc2)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| 59777258 | 109631 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 273 | 2 | 2 | 5 | 1.5 | Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236561 | 109631 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 273 | 2 | 2 | 5 | 1.5 | Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1 | 10.1021/jm401727m | ||
| 25130914 | 186661 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL492677 | 186661 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 46890547 | 6423 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 7 | 2 | 4 | 4.0 | CNC1CCN(CCCOc2ccc(-c3nc4c(C)c(F)ccc4[nH]3)c(C)c2)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082772 | 6423 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 7 | 2 | 4 | 4.0 | CNC1CCN(CCCOc2ccc(-c3nc4c(C)c(F)ccc4[nH]3)c(C)c2)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm401727m | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm401727m | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm401727m | ||
| 68081305 | 109620 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 247 | 1 | 1 | 2 | 1.3 | CN1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 | 10.1021/jm401727m | ||
| CHEMBL3236550 | 109620 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 247 | 1 | 1 | 2 | 1.3 | CN1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 | 10.1021/jm401727m | ||
| 24798144 | 109623 | 2 | None | -19 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236553 | 109623 | 2 | None | -19 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.1 | Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 | 10.1021/jm401727m | ||
| 24738103 | 67773 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 313 | 3 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(OC)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914780 | 67773 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 313 | 3 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(OC)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24745335 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 24745335 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 8985 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL1915540 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| DB15027 | 292 | 7 | None | -6 | 5 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 16362 | 3064 | 67 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | ||
| 2172 | 3064 | 67 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | ||
| 90 | 3064 | 67 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL1423 | 3064 | 67 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | ||
| DB01100 | 3064 | 67 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | ||
| 9904236 | 13947 | 16 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| CHEMBL1197564 | 13947 | 16 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| 46890589 | 6929 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 4.8 | Cc1cc(OCCCN2CCCC(N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084809 | 6929 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 4.8 | Cc1cc(OCCCN2CCCC(N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 57396382 | 67962 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 387 | 9 | 2 | 7 | 3.8 | COCc1ccc(CN2CC[C@H](Nc3cc(NCCC(C)(C)C)ncn3)C2)o1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916495 | 67962 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 387 | 9 | 2 | 7 | 3.8 | COCc1ccc(CN2CC[C@H](Nc3cc(NCCC(C)(C)C)ncn3)C2)o1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57391122 | 67963 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 387 | 7 | 3 | 6 | 3.9 | CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916496 | 67963 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 387 | 7 | 3 | 6 | 3.9 | CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57394628 | 67968 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CC(C)(C)CCNc1cc(N2CCNCC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916500 | 67968 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CC(C)(C)CCNc1cc(N2CCNCC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57397738 | 69506 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 245 | 1 | 0 | 5 | 0.1 | CN1CCN(C(=O)c2cn3ccncc3n2)CC1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938841 | 69506 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 245 | 1 | 0 | 5 | 0.1 | CN1CCN(C(=O)c2cn3ccncc3n2)CC1 | 10.1016/j.bmcl.2011.11.098 | ||
| 10399535 | 117924 | 3 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 1.6 | CC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1 | 10.1021/jm0341047 | ||
| CHEMBL341087 | 117924 | 3 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 1.6 | CC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1 | 10.1021/jm0341047 | ||
| 90645147 | 111671 | 0 | None | 13 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290576 | 111671 | 0 | None | 13 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 155567108 | 176052 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 5 | 3 | 5 | 1.3 | CC(C)(C)CNc1nccc(NCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4586599 | 176052 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 5 | 3 | 5 | 1.3 | CC(C)(C)CNc1nccc(NCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597946 | 176052 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 223 | 5 | 3 | 5 | 1.3 | CC(C)(C)CNc1nccc(NCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155536509 | 175888 | 0 | None | -21 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 274 | 6 | 3 | 5 | 2.3 | CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4473753 | 175888 | 0 | None | -21 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 274 | 6 | 3 | 5 | 2.3 | CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596582 | 175888 | 0 | None | -21 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 274 | 6 | 3 | 5 | 2.3 | CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 4687476 | 95851 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL261320 | 95851 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 9928073 | 201945 | 0 | None | -67 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL67284 | 201945 | 0 | None | -67 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 90654501 | 109807 | 0 | None | -21877 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 314 | 6 | 0 | 5 | 3.1 | Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.ejmech.2014.03.014 | ||
| CHEMBL3238444 | 109807 | 0 | None | -21877 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 314 | 6 | 0 | 5 | 3.1 | Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.ejmech.2014.03.014 | ||
| 4687476 | 95851 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261320 | 95851 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1021/jm7014217 | ||
| 10879463 | 5203 | 0 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106570 | 5203 | 0 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 46228132 | 200450 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL609161 | 200450 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| 46228071 | 198484 | 15 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 1.8 | CN1CCN(c2cc(NCc3ccccc3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL596562 | 198484 | 15 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 1.8 | CN1CCN(c2cc(NCc3ccccc3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 51354870 | 58581 | 0 | None | -26 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 305 | 6 | 0 | 5 | 2.0 | CN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1 | 10.1021/jm1013488 | ||
| CHEMBL1688981 | 58581 | 0 | None | -26 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 305 | 6 | 0 | 5 | 2.0 | CN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1 | 10.1021/jm1013488 | ||
| 57391928 | 69551 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3cc4ccc(Cl)nc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938973 | 69551 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3cc4ccc(Cl)nc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 23650960 | 148585 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 4.3 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(F)ccc2[nH]1 | nan | ||
| CHEMBL3943309 | 148585 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 4.3 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(F)ccc2[nH]1 | nan | ||
| 42624149 | 109638 | 1 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3236568 | 109638 | 1 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| 25218146 | 116592 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 259 | 2 | 0 | 4 | 2.6 | CN1CCN(c2ccnc(-c3ccsc3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393521 | 116592 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 259 | 2 | 0 | 4 | 2.6 | CN1CCN(c2ccnc(-c3ccsc3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 42624149 | 109638 | 1 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236568 | 109638 | 1 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 53258370 | 109639 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 207 | 2 | 2 | 5 | 0.2 | CCc1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236569 | 109639 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 207 | 2 | 2 | 5 | 0.2 | CCc1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 57394548 | 67741 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 1 | 2 | 6 | 2.8 | Nc1nc(N2C[C@@H]3CCCN[C@@H]3C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914747 | 67741 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 1 | 2 | 6 | 2.8 | Nc1nc(N2C[C@@H]3CCCN[C@@H]3C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57396298 | 67746 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 301 | 1 | 1 | 6 | 1.8 | CN1CCN(c2nc(N)nc3c2oc2cccc(F)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914752 | 67746 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 301 | 1 | 1 | 6 | 1.8 | CN1CCN(c2nc(N)nc3c2oc2cccc(F)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 44628629 | 67761 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 1 | 2 | 6 | 1.4 | Nc1nc(N2CCNCC2)c2oc3ccccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914767 | 67761 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 1 | 2 | 6 | 1.4 | Nc1nc(N2CCNCC2)c2oc3ccccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 11630326 | 72211 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 1 | 3 | 1.9 | Cc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| CHEMBL199231 | 72211 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 1 | 3 | 1.9 | Cc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| 51354582 | 58575 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 287 | 6 | 1 | 4 | 3.3 | CC(c1cn(CCCc2c[nH]cn2)nn1)C1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL1688974 | 58575 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 287 | 6 | 1 | 4 | 3.3 | CC(c1cn(CCCc2c[nH]cn2)nn1)C1CCCCC1 | 10.1021/jm1013488 | ||
| 71603195 | 89279 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 283 | 3 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376798 | 89279 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 283 | 3 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2nc(N)nc3cc(C4CC4)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049932u | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049932u | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1021/jm049932u | ||
| 1530 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2142 | 44 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 57399107 | 67857 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 8 | 3 | 7 | 3.1 | CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL1915532 | 67857 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 8 | 3 | 7 | 3.1 | CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 | 10.1021/acs.jmedchem.5b00516 | ||
| 57399107 | 67857 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 8 | 3 | 7 | 3.1 | CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915532 | 67857 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 8 | 3 | 7 | 3.1 | CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57399107 | 67857 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 8 | 3 | 7 | 3.1 | CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915532 | 67857 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 8 | 3 | 7 | 3.1 | CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57395619 | 67858 | 13 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 3 | 1 | 5 | 1.8 | CN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915533 | 67858 | 13 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 3 | 1 | 5 | 1.8 | CN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57395619 | 67858 | 13 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 3 | 1 | 5 | 1.8 | CN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915533 | 67858 | 13 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 3 | 1 | 5 | 1.8 | CN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 168268680 | 192154 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5172675 | 192154 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221210 | 192154 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1403136 | 179917 | 7 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL475331 | 179917 | 7 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 164610824 | 184517 | 0 | None | -14 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856200 | 184517 | 0 | None | -14 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10945113 | 109128 | 1 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL322256 | 109128 | 1 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 21896704 | 158967 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 429 | 9 | 1 | 7 | 2.7 | CC(=O)SCC(Cc1ccc2c(c1)OCO2)C(=O)NCC(=O)OCc1ccccc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4102243 | 158967 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 429 | 9 | 1 | 7 | 2.7 | CC(=O)SCC(Cc1ccc2c(c1)OCO2)C(=O)NCC(=O)OCc1ccccc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 46912441 | 10786 | 0 | None | -117 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 3 | 1 | 2 | 3.9 | FC(F)(F)c1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1 | 10.1016/j.bmc.2010.04.052 | ||
| CHEMBL1172754 | 10786 | 0 | None | -117 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 3 | 1 | 2 | 3.9 | FC(F)(F)c1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1 | 10.1016/j.bmc.2010.04.052 | ||
| 118725538 | 116593 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 3 | 1 | 4 | 2.6 | CN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393522 | 116593 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 259 | 3 | 1 | 4 | 2.6 | CN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 155567030 | 175833 | 0 | None | -645 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 337 | 8 | 0 | 2 | 5.8 | c1ccc(-c2ccc(OCCCCCN3CCCCCC3)cc2)cc1 | 10.1016/j.bmc.2017.07.058 | ||
| CHEMBL4586133 | 175833 | 0 | None | -645 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 337 | 8 | 0 | 2 | 5.8 | c1ccc(-c2ccc(OCCCCCN3CCCCCC3)cc2)cc1 | 10.1016/j.bmc.2017.07.058 | ||
| CHEMBL4596108 | 175833 | 0 | None | -645 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 337 | 8 | 0 | 2 | 5.8 | c1ccc(-c2ccc(OCCCCCN3CCCCCC3)cc2)cc1 | 10.1016/j.bmc.2017.07.058 | ||
| 24854708 | 155170 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 334 | 3 | 0 | 5 | 3.5 | Cc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| CHEMBL405416 | 155170 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 334 | 3 | 0 | 5 | 3.5 | Cc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| 51354587 | 58580 | 0 | None | -3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 0 | 5 | 2.7 | c1cn(CCCn2cc(CC3CCCCC3)nn2)cn1 | 10.1021/jm1013488 | ||
| CHEMBL1688979 | 58580 | 0 | None | -3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 0 | 5 | 2.7 | c1cn(CCCn2cc(CC3CCCCC3)nn2)cn1 | 10.1021/jm1013488 | ||
| 10702196 | 108068 | 1 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL320279 | 108068 | 1 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 2 | 2 | 3 | 0.4 | NC[C@@H]1C=C[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 136016345 | 10271 | 2 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 377 | 5 | 4 | 6 | 2.1 | CCOC(=O)c1ccc(NC2=CC(=O)/C(=N\NC(=N)N)c3ccccc32)cc1 | 10.1021/jm7014777 | ||
| CHEMBL1162352 | 10271 | 2 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 377 | 5 | 4 | 6 | 2.1 | CCOC(=O)c1ccc(NC2=CC(=O)/C(=N\NC(=N)N)c3ccccc32)cc1 | 10.1021/jm7014777 | ||
| 127052293 | 139695 | 1 | None | 34 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | 34 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmc.2010.04.052 | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmc.2010.04.052 | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 10.1016/j.bmc.2010.04.052 | ||
| 11258459 | 83800 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 6 | 1 | 4 | 4.5 | Cc1cc(C)c2nc(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)[nH]c2c1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL220933 | 83800 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 6 | 1 | 4 | 4.5 | Cc1cc(C)c2nc(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)[nH]c2c1 | 10.1016/j.bmcl.2006.08.117 | ||
| 46228082 | 200683 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 5 | 2 | 6 | 2.5 | CC(C)c1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL610626 | 200683 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 5 | 2 | 6 | 2.5 | CC(C)c1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| 49841721 | 69366 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 2 | 1 | 5 | 3.2 | Cc1cccc(C)c1-c1cccc2c(N3CCN(C)CC3)nc(N)nc12 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935558 | 69366 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 2 | 1 | 5 | 3.2 | Cc1cccc(C)c1-c1cccc2c(N3CCN(C)CC3)nc(N)nc12 | 10.1016/j.bmcl.2011.10.104 | ||
| 25178551 | 173649 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 1 | 6 | 2.7 | CN1CCN(c2nc(NCc3ccco3)c3cc(F)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL454882 | 173649 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 1 | 6 | 2.7 | CN1CCN(c2nc(NCc3ccco3)c3cc(F)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178551 | 173649 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 1 | 6 | 2.7 | CN1CCN(c2nc(NCc3ccco3)c3cc(F)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL454882 | 173649 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 1 | 6 | 2.7 | CN1CCN(c2nc(NCc3ccco3)c3cc(F)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 45379807 | 197818 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 438 | 6 | 1 | 6 | 3.5 | CN1CCN(c2nc(NCCC(=O)N(C)c3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591970 | 197818 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 438 | 6 | 1 | 6 | 3.5 | CN1CCN(c2nc(NCCC(=O)N(C)c3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 10037650 | 5123 | 0 | None | 31 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106158 | 5123 | 0 | None | 31 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 122194624 | 123489 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1ccccc1/C=C/c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3629827 | 123489 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1ccccc1/C=C/c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2015.08.014 | ||
| 57400700 | 67521 | 0 | None | -3090 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 470 | 8 | 1 | 6 | 3.4 | COc1ccc(CN(CCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910380 | 67521 | 0 | None | -3090 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 470 | 8 | 1 | 6 | 3.4 | COc1ccc(CN(CCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 164610421 | 184668 | 0 | None | -7 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858567 | 184668 | 0 | None | -7 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 46890120 | 6444 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 416 | 6 | 1 | 4 | 5.2 | Cc1cc(OCCCN2Cc3cccnc3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082851 | 6444 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 416 | 6 | 1 | 4 | 5.2 | Cc1cc(OCCCN2Cc3cccnc3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 56851604 | 71270 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 8 | 2 | 3 | 5.1 | Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1923028 | 71270 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 8 | 2 | 3 | 5.1 | Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1963460 | 71270 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 8 | 2 | 3 | 5.1 | Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 24853663 | 95572 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 3 | 0 | 5 | 1.8 | CCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL259839 | 95572 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 3 | 0 | 5 | 1.8 | CCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 24278976 | 95791 | 56 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2nc3ccccc3nc2Cl)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261010 | 95791 | 56 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2nc3ccccc3nc2Cl)CC1 | 10.1021/jm7014217 | ||
| 24854704 | 95675 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 4 | 0 | 5 | 3.6 | CN1CCN(c2nc3ccccc3nc2OCc2ccc(Cl)cc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260456 | 95675 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 4 | 0 | 5 | 3.6 | CN1CCN(c2nc3ccccc3nc2OCc2ccc(Cl)cc2)CC1 | 10.1021/jm7014217 | ||
| 10923241 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL128958 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 10923241 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL128958 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 56835171 | 69382 | 0 | None | -1 | 9 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935574 | 69382 | 0 | None | -1 | 9 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 295 | 2 | 2 | 6 | 1.9 | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 | 10.1016/j.bmcl.2011.10.104 | ||
| 11687917 | 14781 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 1.9 | Cc1cc(Cl)c2nc(C(=O)N3CCN(C)CC3)[nH]c2c1 | 10.1021/jm0502081 | ||
| CHEMBL120854 | 14781 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 1 | 1 | 3 | 1.9 | Cc1cc(Cl)c2nc(C(=O)N3CCN(C)CC3)[nH]c2c1 | 10.1021/jm0502081 | ||
| 10923241 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128958 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 45257131 | 198216 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594731 | 198216 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| 57403350 | 67965 | 0 | None | 35 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.7 | CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916498 | 67965 | 0 | None | 35 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 5 | 1.7 | CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 24804058 | 143553 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 424 | 7 | 2 | 5 | 5.1 | Cc1c(F)ccc2[nH]c(-c3cnc(NCCCC4CCN(C)CC4)nc3C(C)C)nc12 | nan | ||
| CHEMBL3903520 | 143553 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 424 | 7 | 2 | 5 | 5.1 | Cc1c(F)ccc2[nH]c(-c3cnc(NCCCC4CCN(C)CC4)nc3C(C)C)nc12 | nan | ||
| 126963284 | 144229 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 1 | 1 | 3 | 4.2 | CO[C@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| CHEMBL3909134 | 144229 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 1 | 1 | 3 | 4.2 | CO[C@H]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
| 46890675 | 7147 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 422 | 6 | 1 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCN(C)C3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1085803 | 7147 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 422 | 6 | 1 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCN(C)C3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 49841722 | 69367 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 2 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc3c(-c4ccc(C#N)cc4)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935559 | 69367 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 2 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc3c(-c4ccc(C#N)cc4)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 168276867 | 192223 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174278 | 192223 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221653 | 192223 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 24853598 | 95763 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 350 | 4 | 0 | 6 | 3.2 | COc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| CHEMBL260851 | 95763 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 350 | 4 | 0 | 6 | 3.2 | COc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| 24853596 | 95838 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 3 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261225 | 95838 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 3 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1 | 10.1021/jm7014217 | ||
| 164610289 | 184540 | 0 | None | -38 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856602 | 184540 | 0 | None | -38 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 57399827 | 67969 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2cc(NCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916501 | 67969 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2cc(NCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 90645155 | 111677 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 2 | 1 | 7 | 0.7 | CN1CCN(c2nc(N)nc(-c3ccc(C#N)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290582 | 111677 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 2 | 1 | 7 | 0.7 | CN1CCN(c2nc(N)nc(-c3ccc(C#N)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 90645155 | 111677 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 2 | 1 | 7 | 0.7 | CN1CCN(c2nc(N)nc(-c3ccc(C#N)cc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL3290582 | 111677 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 2 | 1 | 7 | 0.7 | CN1CCN(c2nc(N)nc(-c3ccc(C#N)cc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 46228114 | 198482 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 314 | 4 | 3 | 7 | 1.1 | CN1CCN(c2cc(NCc3ccc(O)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL596551 | 198482 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 314 | 4 | 3 | 7 | 1.1 | CN1CCN(c2cc(NCc3ccc(O)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 25178131 | 186345 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 3.7 | CN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL490072 | 186345 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 3.7 | CN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 90645152 | 111674 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccc(I)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290579 | 111674 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3ccc(I)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 49818718 | 69372 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 257 | 1 | 1 | 5 | 1.3 | Cc1ccc2c(N3CCN(C)CC3)nc(N)nc2c1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935564 | 69372 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 257 | 1 | 1 | 5 | 1.3 | Cc1ccc2c(N3CCN(C)CC3)nc(N)nc2c1 | 10.1016/j.bmcl.2011.10.104 | ||
| 54582867 | 61215 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 3 | 1 | 6 | 0.7 | CC(C)N(C)c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770999 | 61215 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 3 | 1 | 6 | 0.7 | CC(C)N(C)c1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25147771 | 173656 | 0 | None | 1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL454890 | 173656 | 0 | None | 1 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 11440060 | 205293 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 8 | 1 | 2 | 5.4 | c1ccc(C(OCCCc2c[nH]cn2)(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL91576 | 205293 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 8 | 1 | 2 | 5.4 | c1ccc(C(OCCCc2c[nH]cn2)(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 127051301 | 139657 | 0 | None | 5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804906 | 139657 | 0 | None | 5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 58227216 | 116625 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393554 | 116625 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 550981 | 68674 | 12 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 280 | 5 | 2 | 3 | 2.9 | OC(CNC1CC1)Cn1c2ccccc2c2ccccc21 | 10.1021/jm2011589 | ||
| CHEMBL1923533 | 68674 | 12 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 280 | 5 | 2 | 3 | 2.9 | OC(CNC1CC1)Cn1c2ccccc2c2ccccc21 | 10.1021/jm2011589 | ||
| 24804056 | 150107 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 8 | 2 | 5 | 5.1 | CCCc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(C)ccc2[nH]1 | nan | ||
| CHEMBL3955597 | 150107 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 8 | 2 | 5 | 5.1 | CCCc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(C)ccc2[nH]1 | nan | ||
| 71461658 | 78632 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 1 | 2 | 4 | 0.5 | CN1CCN(C(=O)c2nc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL2113162 | 78632 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 259 | 1 | 2 | 4 | 0.5 | CN1CCN(C(=O)c2nc3cc(N)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 4024 | 1976 | 14 | None | -301 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1021/jm049932u | ||
| 9989505 | 1976 | 14 | None | -301 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1021/jm049932u | ||
| CHEMBL82298 | 1976 | 14 | None | -301 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1021/jm049932u | ||
| 122193101 | 123389 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 364 | 3 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(C(F)(F)F)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628048 | 123389 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 364 | 3 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(C(F)(F)F)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 155546701 | 173073 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 2 | 1 | 6 | 0.8 | CN1CCN(c2nc(N)nc(CC(C)(C)C)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4534504 | 173073 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 2 | 1 | 6 | 0.8 | CN1CCN(c2nc(N)nc(CC(C)(C)C)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| 24798596 | 198175 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(N3Cc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594491 | 198175 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(N3Cc4ccccc4C3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 21193534 | 11145 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 7 | 1 | 2 | 4.1 | c1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL1179089 | 11145 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 7 | 1 | 2 | 4.1 | c1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL59679 | 11145 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 7 | 1 | 2 | 4.1 | c1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 54587789 | 61192 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 252 | 4 | 3 | 7 | -0.8 | CN1CCN(c2cc(NCCO)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770976 | 61192 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 252 | 4 | 3 | 7 | -0.8 | CN1CCN(c2cc(NCCO)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 45257131 | 198216 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594731 | 198216 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1ccccc1CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmc.2009.08.059 | ||
| 90655027 | 109625 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 261 | 3 | 2 | 5 | 1.5 | CN[C@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236555 | 109625 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 261 | 3 | 2 | 5 | 1.5 | CN[C@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 66740898 | 109632 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 287 | 2 | 1 | 5 | 1.7 | CN1C[C@H]2CN(c3cc(C4CCCC4)nc(N)n3)C[C@H]2C1 | 10.1021/jm401727m | ||
| CHEMBL3236562 | 109632 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 287 | 2 | 1 | 5 | 1.7 | CN1C[C@H]2CN(c3cc(C4CCCC4)nc(N)n3)C[C@H]2C1 | 10.1021/jm401727m | ||
| 24826082 | 67784 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914791 | 67784 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 11587279 | 124518 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL364400 | 124518 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 1226 | 1980 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| 41376 | 1980 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12608 | 1980 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| 10105117 | 103705 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | CC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL309819 | 103705 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | CC/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10466840 | 202766 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72424 | 202766 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 71681476 | 89212 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 316 | 8 | 4 | 8 | 1.5 | CC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375756 | 89212 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 316 | 8 | 4 | 8 | 1.5 | CC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm301886t | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm301886t | ||
| 10923241 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL128958 | 18957 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 22660616 | 75280 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047273 | 75280 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 259 | 1 | 2 | 3 | 1.3 | CN1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 71525588 | 89286 | 0 | None | 33 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.1 | CNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376805 | 89286 | 0 | None | 33 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.1 | CNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm7014217 | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm7014217 | ||
| 45271470 | 193370 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 3.1 | Cc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202329 | 193370 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 3.1 | Cc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL549481 | 193370 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 3.1 | Cc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 | 10.1016/j.bmc.2009.04.007 | ||
| 45270644 | 193791 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 257 | 6 | 4 | 2 | 1.7 | N=C(NCCCc1c[nH]cn1)NCc1ccccc1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL552694 | 193791 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 257 | 6 | 4 | 2 | 1.7 | N=C(NCCCc1c[nH]cn1)NCc1ccccc1 | 10.1016/j.bmc.2009.04.007 | ||
| 45271464 | 193821 | 0 | None | -5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 6 | 3 | 3 | 2.9 | N=C(NCc1ccc(F)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202328 | 193821 | 0 | None | -5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 6 | 3 | 3 | 2.9 | N=C(NCc1ccc(F)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL553455 | 193821 | 0 | None | -5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 6 | 3 | 3 | 2.9 | N=C(NCc1ccc(F)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 10468601 | 193908 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 274 | 6 | 3 | 3 | 2.8 | N=C(NCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202324 | 193908 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 274 | 6 | 3 | 3 | 2.8 | N=C(NCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL555434 | 193908 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 274 | 6 | 3 | 3 | 2.8 | N=C(NCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 45268095 | 194356 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 378 | 9 | 3 | 3 | 4.8 | N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202323 | 194356 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 378 | 9 | 3 | 3 | 4.8 | N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL560313 | 194356 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 378 | 9 | 3 | 3 | 4.8 | N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1274 | 3989 | 12 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1039/C2MD20212C | ||
| 3063228 | 3989 | 12 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1039/C2MD20212C | ||
| CHEMBL1196470 | 3989 | 12 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1039/C2MD20212C | ||
| 10988959 | 117592 | 4 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL340740 | 117592 | 4 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| 21638785 | 188063 | 4 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| CHEMBL503605 | 188063 | 4 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| 127052294 | 139759 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806079 | 139759 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 11751419 | 137342 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 5.6 | CN(C)C1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL376268 | 137342 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 5.6 | CN(C)C1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| 11751419 | 137342 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 5.6 | CN(C)C1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL376268 | 137342 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 5.6 | CN(C)C1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 | 10.1016/j.bmcl.2006.08.117 | ||
| 57402512 | 67810 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 3 | 2 | 7 | 2.2 | CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915022 | 67810 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 3 | 2 | 7 | 2.2 | CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46228092 | 198256 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 299 | 4 | 1 | 6 | 1.4 | CN1CCN(c2cc(OCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594973 | 198256 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 299 | 4 | 1 | 6 | 1.4 | CN1CCN(c2cc(OCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 4024 | 1976 | 14 | None | -301 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 9989505 | 1976 | 14 | None | -301 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL82298 | 1976 | 14 | None | -301 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | n1ccc(cc1)Cc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1252 | 1978 | 16 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 9793868 | 1978 | 16 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL417096 | 1978 | 16 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 1252 | 1978 | 16 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
| 9793868 | 1978 | 16 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL417096 | 1978 | 16 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
| 81371 | 12646 | 11 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 178 | 3 | 4 | 4 | 0.2 | N=C(N)SCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL1187946 | 12646 | 11 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 178 | 3 | 4 | 4 | 0.2 | N=C(N)SCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL534494 | 12646 | 11 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 178 | 3 | 4 | 4 | 0.2 | N=C(N)SCCSC(=N)N | 10.1021/jm060880d | ||
| 52128564 | 75266 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 278 | 1 | 0 | 3 | 2.5 | CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047259 | 75266 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 278 | 1 | 0 | 3 | 2.5 | CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70684084 | 75302 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 2 | 2 | 2 | 2.6 | CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047452 | 75302 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 2 | 2 | 2 | 2.6 | CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70692528 | 75308 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.1 | CN1CCCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047458 | 75308 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.1 | CN1CCCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70686224 | 75322 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.4 | CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047472 | 75322 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 295 | 2 | 2 | 2 | 2.4 | CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 51355156 | 58587 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 273 | 5 | 1 | 4 | 3.1 | c1nc(CCCc2cn(C3CCCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688989 | 58587 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 273 | 5 | 1 | 4 | 3.1 | c1nc(CCCc2cn(C3CCCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 9990475 | 56168 | 0 | None | 3 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632408 | 56168 | 0 | None | 3 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL2448450 | 56168 | 0 | None | 3 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
| 10583206 | 108859 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL321920 | 108859 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681640 | 89219 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 356 | 6 | 4 | 8 | 2.3 | Nc1nc(Cl)cc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375763 | 89219 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 356 | 6 | 4 | 8 | 2.3 | Nc1nc(Cl)cc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 12438303 | 75265 | 2 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 260 | 1 | 0 | 3 | 2.3 | CN1CCN(C(=O)c2cc3ccccc3s2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047258 | 75265 | 2 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 260 | 1 | 0 | 3 | 2.3 | CN1CCN(C(=O)c2cc3ccccc3s2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 22660598 | 75290 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047440 | 75290 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 24854636 | 155764 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 296 | 1 | 0 | 4 | 2.4 | CN1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 | 10.1021/jm7014217 | ||
| CHEMBL406558 | 155764 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 296 | 1 | 0 | 4 | 2.4 | CN1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 | 10.1021/jm7014217 | ||
| 10583206 | 108859 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL321920 | 108859 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 44395263 | 66355 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 292 | 2 | 2 | 3 | 1.7 | CN1CCN(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL185546 | 66355 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 292 | 2 | 2 | 3 | 1.7 | CN1CCN(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 44395336 | 66442 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 1.9 | CN(C)CCN(C)C(=O)c1nc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL185948 | 66442 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 1.9 | CN(C)CCN(C)C(=O)c1nc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 44395290 | 124984 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 279 | 4 | 1 | 2 | 2.5 | CN(C)CCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL364629 | 124984 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 279 | 4 | 1 | 2 | 2.5 | CN(C)CCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 15984057 | 139578 | 0 | None | -35481 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 5.3 | c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1 | 10.1016/j.bmc.2008.10.029 | ||
| CHEMBL380101 | 139578 | 0 | None | -35481 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 5.3 | c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1 | 10.1016/j.bmc.2008.10.029 | ||
| 71519348 | 86049 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 3 | 2 | 6 | 1.5 | Nc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314766 | 86049 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 3 | 2 | 6 | 1.5 | Nc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 122193106 | 123393 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 335 | 3 | 2 | 6 | 1.9 | CN1CCN(c2nc(N)nc(/C=C/c3c[nH]c4ccccc34)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628052 | 123393 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 335 | 3 | 2 | 6 | 1.9 | CN1CCN(c2nc(N)nc(/C=C/c3c[nH]c4ccccc34)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 122193095 | 123383 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628042 | 123383 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 54585776 | 61177 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 252 | 5 | 4 | 7 | -0.7 | CN[C@@H]1CCN(c2cc(N)nc(NCCO)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770961 | 61177 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 252 | 5 | 4 | 7 | -0.7 | CN[C@@H]1CCN(c2cc(N)nc(NCCO)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24994630 | 109629 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 261 | 2 | 2 | 5 | 1.6 | Nc1nc(C2CCCC2)cc(N2CCC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236559 | 109629 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 261 | 2 | 2 | 5 | 1.6 | Nc1nc(C2CCCC2)cc(N2CCC[C@@H](N)C2)n1 | 10.1021/jm401727m | ||
| 25178933 | 186344 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 367 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL490071 | 186344 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 367 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178933 | 186344 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 367 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL490071 | 186344 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 367 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 122193103 | 123391 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 4 | 1 | 8 | 1.3 | CN1CCN(c2nc(N)nc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628050 | 123391 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 4 | 1 | 8 | 1.3 | CN1CCN(c2nc(N)nc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| 46890627 | 6496 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 408 | 6 | 2 | 4 | 4.0 | Cc1cc(OCCCN2CC3CCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083098 | 6496 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 408 | 6 | 2 | 4 | 4.0 | Cc1cc(OCCCN2CC3CCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 11340020 | 83833 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 6 | 1 | 4 | 5.6 | CN1CCCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL221210 | 83833 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 6 | 1 | 4 | 5.6 | CN1CCCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.04.017 | ||
| 136042265 | 69552 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 2.0 | CN1C[C@H]2CN(C(=N)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938974 | 69552 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 2.0 | CN1C[C@H]2CN(C(=N)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 11340020 | 83833 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 6 | 1 | 4 | 5.6 | CN1CCCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL221210 | 83833 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 6 | 1 | 4 | 5.6 | CN1CCCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| 11189343 | 141433 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 420 | 6 | 1 | 4 | 4.9 | Cc1cc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)ccc1OCCCN1CCN(C)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL387342 | 141433 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 420 | 6 | 1 | 4 | 4.9 | Cc1cc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)ccc1OCCCN1CCN(C)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| 57394549 | 67742 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 315 | 1 | 2 | 6 | 2.2 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914748 | 67742 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 315 | 1 | 2 | 6 | 2.2 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1021/jm0502081 | ||
| 24759624 | 95673 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 0 | 5 | 2.0 | COc1nc2cc(Cl)ccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260444 | 95673 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 0 | 5 | 2.0 | COc1nc2cc(Cl)ccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 25147771 | 173656 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL454890 | 173656 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 44129211 | 199280 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 7 | 1.5 | CN1CCN(c2nc(NCCS(C)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL601946 | 199280 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 5 | 1 | 7 | 1.5 | CN1CCN(c2nc(NCCS(C)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 11821243 | 18649 | 8 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 1.9 | CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL128134 | 18649 | 8 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 1.9 | CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 155549319 | 175740 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 5 | 2 | 5 | 2.0 | CCC(=O)N[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4538671 | 175740 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 5 | 2 | 5 | 2.0 | CCC(=O)N[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595399 | 175740 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 5 | 2 | 5 | 2.0 | CCC(=O)N[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 164620704 | 185491 | 0 | None | -17 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871482 | 185491 | 0 | None | -17 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 127026016 | 136951 | 0 | None | -13 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753967 | 136951 | 0 | None | -13 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 71518861 | 86056 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 326 | 2 | 2 | 5 | 2.1 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314774 | 86056 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 326 | 2 | 2 | 5 | 2.1 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 122193102 | 123390 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 321 | 3 | 1 | 7 | 1.2 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(C#N)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628049 | 123390 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 321 | 3 | 1 | 7 | 1.2 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(C#N)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 63868018 | 174794 | 2 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 208 | 1 | 1 | 6 | -0.5 | Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4574940 | 174794 | 2 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 208 | 1 | 1 | 6 | -0.5 | Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 71518536 | 86053 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 0.3 | Cc1cc2c(N3CCNCC3)nc(N)nc2[nH]1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314771 | 86053 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 0.3 | Cc1cc2c(N3CCNCC3)nc(N)nc2[nH]1 | 10.1016/j.bmcl.2012.10.139 | ||
| 57391927 | 69546 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 2 | 1 | 3 | 2.6 | CC(C)N1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938969 | 69546 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 2 | 1 | 3 | 2.6 | CC(C)N1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 3991311 | 136325 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 296 | 2 | 0 | 5 | 2.7 | CCc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1 | 10.1039/C5MD00022J | ||
| CHEMBL3741986 | 136325 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 296 | 2 | 0 | 5 | 2.7 | CCc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1 | 10.1039/C5MD00022J | ||
| 25178556 | 188486 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 4 | 1 | 6 | 4.9 | CN1CCN(c2nc(NCc3cc4ccccc4s3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL509961 | 188486 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 423 | 4 | 1 | 6 | 4.9 | CN1CCN(c2nc(NCc3cc4ccccc4s3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 44563707 | 200902 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 4 | 0 | 5 | 3.6 | CN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1 | 10.1021/jm800876b | ||
| CHEMBL612059 | 200902 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 4 | 0 | 5 | 3.6 | CN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1 | 10.1021/jm800876b | ||
| 24853595 | 159612 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 4 | 0 | 5 | 3.6 | CN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL410925 | 159612 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 4 | 0 | 5 | 3.6 | CN1CCN(c2nc3ccccc3nc2OCc2cccc(Cl)c2)CC1 | 10.1021/jm7014217 | ||
| 155535098 | 175802 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 3 | 5 | 1.3 | CC(C)(C)CNc1nccc(N2CCCN(C(=N)N)CC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4471442 | 175802 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 3 | 5 | 1.3 | CC(C)(C)CNc1nccc(N2CCCN(C(=N)N)CC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595908 | 175802 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 3 | 5 | 1.3 | CC(C)(C)CNc1nccc(N2CCCN(C(=N)N)CC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 10782821 | 95762 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.4 | CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260850 | 95762 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.4 | CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 164616851 | 184357 | 0 | None | -446 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853772 | 184357 | 0 | None | -446 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10591811 | 158794 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 320 | 9 | 1 | 2 | 4.7 | c1ccc(-c2ccc(CCCOCCCc3c[nH]cn3)cc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4100315 | 158794 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 320 | 9 | 1 | 2 | 4.7 | c1ccc(-c2ccc(CCCOCCCc3c[nH]cn3)cc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0341047 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0341047 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm0341047 | ||
| 24804219 | 148019 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 4.2 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cccc2[nH]1 | nan | ||
| CHEMBL3938862 | 148019 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 4.2 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cccc2[nH]1 | nan | ||
| 11565330 | 96758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.0 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1021/jm0502081 | ||
| CHEMBL268525 | 96758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.0 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1021/jm0502081 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 71525681 | 89284 | 0 | None | -3 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376803 | 89284 | 0 | None | -3 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 11846634 | 77640 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL209758 | 77640 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| 57395496 | 67816 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 1 | 2 | 6 | 2.5 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(C(F)(F)F)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915034 | 67816 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 1 | 2 | 6 | 2.5 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3ccc(C(F)(F)F)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 51354302 | 58571 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 287 | 7 | 1 | 4 | 3.1 | c1nc(CCCCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688970 | 58571 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 287 | 7 | 1 | 4 | 3.1 | c1nc(CCCCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 25130235 | 186994 | 1 | None | -7 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | -7 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL494678 | 186994 | 1 | None | -7 | 11 | Rat | 6.6 | pKi | = | 6.6 | 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 | -7 | 11 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 57390225 | 67525 | 0 | None | -3235 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 469 | 9 | 2 | 5 | 4.1 | COc1ccc(CN(CCN[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910384 | 67525 | 0 | None | -3235 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 469 | 9 | 2 | 5 | 4.1 | COc1ccc(CN(CCN[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 55251397 | 172683 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 236 | 2 | 1 | 6 | 0.3 | CC(C)c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4525008 | 172683 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 236 | 2 | 1 | 6 | 0.3 | CC(C)c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 53233803 | 61178 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.2 | CC(C)Nc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770962 | 61178 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.2 | CC(C)Nc1cc(N2CCN(C)CC2)cc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 11293460 | 84405 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 434 | 6 | 1 | 4 | 5.1 | CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc54)[nH]3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL223490 | 84405 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 434 | 6 | 1 | 4 | 5.1 | CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc54)[nH]3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| 42624148 | 109644 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 233 | 3 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2cc(C3CC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236574 | 109644 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 233 | 3 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2cc(C3CC3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm800876b | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm800876b | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 217674 | 178691 | 6 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc(Oc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL473098 | 178691 | 6 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc(Oc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 217674 | 178691 | 6 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc(Oc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL473098 | 178691 | 6 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc(Oc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 156009715 | 177735 | 0 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 601 | 8 | 1 | 3 | 8.2 | Cc1cc(OCCC[n+]2c(C)cc(/C=C/c3cc4c5c(c3)CCCN5CCC4)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4634631 | 177735 | 0 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 601 | 8 | 1 | 3 | 8.2 | Cc1cc(OCCC[n+]2c(C)cc(/C=C/c3cc4c5c(c3)CCCN5CCC4)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4651103 | 177735 | 0 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 601 | 8 | 1 | 3 | 8.2 | Cc1cc(OCCC[n+]2c(C)cc(/C=C/c3cc4c5c(c3)CCCN5CCC4)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 45257134 | 198251 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1cccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594949 | 198251 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 4 | 2 | 6 | 1.7 | Cc1cccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)c1 | 10.1016/j.bmc.2009.08.059 | ||
| 155539562 | 172264 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 304 | 4 | 1 | 6 | 1.7 | CN1CCN(c2nc(N)nc(CCC3CCCCC3)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4514667 | 172264 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 304 | 4 | 1 | 6 | 1.7 | CN1CCN(c2nc(N)nc(CCC3CCCCC3)n2)CC1 | 10.1016/j.bmc.2019.02.020 | ||
| 10083188 | 140390 | 3 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL382276 | 140390 | 3 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2011.09.001 | ||
| 9927983 | 79427 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 1 | 0 | 4 | 4.2 | CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL1795042 | 79427 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 1 | 0 | 4 | 4.2 | CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL212212 | 79427 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 1 | 0 | 4 | 4.2 | CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 49841612 | 69376 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 2 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc3cc(-c4ccc(C#N)cc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935568 | 69376 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 2 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc3cc(-c4ccc(C#N)cc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 54587786 | 61186 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770970 | 61186 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24825897 | 67753 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 299 | 1 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3c2sc2ccccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914759 | 67753 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 299 | 1 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3c2sc2ccccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 71519674 | 89285 | 0 | None | -3 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376804 | 89285 | 0 | None | -3 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 56851610 | 71268 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 5 | 2 | 3 | 3.8 | CC(C)(C)N/C(=N/C1CCCC1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1923031 | 71268 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 5 | 2 | 3 | 3.8 | CC(C)(C)N/C(=N/C1CCCC1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1963448 | 71268 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 5 | 2 | 3 | 3.8 | CC(C)(C)N/C(=N/C1CCCC1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| 127049856 | 139702 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805431 | 139702 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 10680721 | 5889 | 0 | None | -23 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 6 | 2 | 3 | 1.9 | CC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1080089 | 5889 | 0 | None | -23 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 6 | 2 | 3 | 1.9 | CC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL158085 | 5889 | 0 | None | -23 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 6 | 2 | 3 | 1.9 | CC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 753256 | 178760 | 10 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2cc(N)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL473662 | 178760 | 10 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2cc(N)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46228133 | 198361 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3cccc(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595639 | 198361 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3cccc(Cl)c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 29136870 | 68664 | 7 | None | -46 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 301 | 2 | 0 | 7 | 0.7 | CN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1 | 10.1021/jm2011589 | ||
| CHEMBL1923522 | 68664 | 7 | None | -46 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 301 | 2 | 0 | 7 | 0.7 | CN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1 | 10.1021/jm2011589 | ||
| 71519176 | 86042 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 340 | 2 | 2 | 5 | 2.5 | CN1CCCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314759 | 86042 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 340 | 2 | 2 | 5 | 2.5 | CN1CCCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 155545717 | 172887 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 238 | 3 | 2 | 2 | 2.6 | c1ccc2[nH]c(C[C@@H]3C[C@H]3c3c[nH]cn3)nc2c1 | 10.1016/j.bmcl.2018.10.041 | ||
| CHEMBL4529871 | 172887 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 238 | 3 | 2 | 2 | 2.6 | c1ccc2[nH]c(C[C@@H]3C[C@H]3c3c[nH]cn3)nc2c1 | 10.1016/j.bmcl.2018.10.041 | ||
| 156015791 | 177659 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 8 | 1 | 3 | 4.6 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCN1CCc2nc[nH]c2C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4646286 | 177659 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 8 | 1 | 3 | 4.6 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCN1CCc2nc[nH]c2C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650609 | 177659 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 8 | 1 | 3 | 4.6 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCN1CCc2nc[nH]c2C1 | 10.1021/acs.jmedchem.0c00160 | ||
| 24854638 | 154644 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL402470 | 154644 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 24854702 | 95598 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL259955 | 95598 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 | 10.1021/jm7014217 | ||
| 24853592 | 155604 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 7 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL406380 | 155604 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 7 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 122193104 | 123357 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 346 | 3 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc(/C=C/c3cccc4ccccc34)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3627724 | 123357 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 346 | 3 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc(/C=C/c3cccc4ccccc34)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 137632569 | 155719 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 418 | 7 | 1 | 2 | 4.8 | Ic1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4065099 | 155719 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 418 | 7 | 1 | 2 | 4.8 | Ic1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 53233804 | 61182 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 275 | 3 | 2 | 5 | 1.8 | CN1CCN(c2cc(N)nc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770966 | 61182 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 275 | 3 | 2 | 5 | 1.8 | CN1CCN(c2cc(N)nc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54583873 | 61185 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770969 | 61185 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54584824 | 61193 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770977 | 61193 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54585780 | 61214 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 250 | 3 | 2 | 6 | 0.6 | CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770998 | 61214 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 250 | 3 | 2 | 6 | 0.6 | CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 58227326 | 116613 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 249 | 6 | 2 | 5 | 1.5 | CCCCNc1nccc(N2CC[C@@H](NC)C2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393542 | 116613 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 249 | 6 | 2 | 5 | 1.5 | CCCCNc1nccc(N2CC[C@@H](NC)C2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 9839217 | 72159 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 297 | 1 | 1 | 3 | 2.6 | Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| CHEMBL199062 | 72159 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 297 | 1 | 1 | 3 | 2.6 | Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| 54583873 | 61185 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL1770969 | 61185 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.3 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 54585781 | 61217 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL1771000 | 61217 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.9 | CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm301886t | ||
| 71551636 | 89229 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 263 | 4 | 1 | 5 | 1.4 | CC(C)CCc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375772 | 89229 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 263 | 4 | 1 | 5 | 1.4 | CC(C)CCc1cc(N2CCN(C)CC2)nc(N)n1 | 10.1021/jm301886t | ||
| 25129527 | 186821 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1021/jm301886t | ||
| CHEMBL493720 | 186821 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1021/jm301886t | ||
| 46881855 | 7649 | 0 | None | 15 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 2 | 5 | 2.5 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1089040 | 7649 | 0 | None | 15 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 2 | 5 | 2.5 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| 10967174 | 19227 | 3 | None | 2 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL129540 | 19227 | 3 | None | 2 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 46890166 | 7220 | 0 | None | 4786 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086105 | 7220 | 0 | None | 4786 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 71603136 | 89271 | 0 | None | 46 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 297 | 3 | 2 | 5 | 2.3 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376790 | 89271 | 0 | None | 46 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 297 | 3 | 2 | 5 | 2.3 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25109291 | 190782 | 9 | None | -79 | 8 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 190782 | 9 | None | -79 | 8 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 127050309 | 140305 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 283 | 2 | 2 | 6 | 1.8 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1 | 10.1039/C6MD00108D | ||
| CHEMBL3819470 | 140305 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 283 | 2 | 2 | 6 | 1.8 | CN[C@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1 | 10.1039/C6MD00108D | ||
| 53476465 | 67697 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 2 | 2 | 6 | 2.0 | NCC1CN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914547 | 67697 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 2 | 2 | 6 | 2.0 | NCC1CN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24737947 | 67770 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 283 | 2 | 2 | 6 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914776 | 67770 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 283 | 2 | 2 | 6 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25071004 | 192106 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL521996 | 192106 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 25071004 | 192106 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL521996 | 192106 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 24826358 | 67739 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 329 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CC3CCNC3C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914745 | 67739 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 329 | 1 | 2 | 6 | 2.4 | Nc1nc(N2CC3CCNC3C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25101945 | 192494 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL522673 | 192494 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 1.6 | CNC1CN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 58227401 | 175867 | 0 | None | 7 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4443126 | 175867 | 0 | None | 7 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596409 | 175867 | 0 | None | 7 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 263 | 4 | 2 | 5 | 1.7 | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25068753 | 187844 | 15 | None | 1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL502347 | 187844 | 15 | None | 1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 1278 | 2110 | 79 | None | -4 | 8 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | -4 | 8 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | -4 | 8 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | -4 | 8 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2009.08.059 | ||
| 21638785 | 188063 | 4 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| CHEMBL503605 | 188063 | 4 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 263 | 1 | 2 | 2 | 1.9 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1 | 10.1021/jm800670r | ||
| 24994636 | 109635 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 3 | 6 | 0.5 | CN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O | 10.1021/jm401727m | ||
| CHEMBL3236565 | 109635 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 3 | 6 | 0.5 | CN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O | 10.1021/jm401727m | ||
| 24826441 | 67748 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 313 | 2 | 1 | 7 | 1.7 | COc1cccc2oc3c(N4CCN(C)CC4)nc(N)nc3c12 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914754 | 67748 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 313 | 2 | 1 | 7 | 1.7 | COc1cccc2oc3c(N4CCN(C)CC4)nc(N)nc3c12 | 10.1016/j.bmcl.2011.08.014 | ||
| 10244243 | 140769 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 1.3 | Cc1cccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| CHEMBL383384 | 140769 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 1.3 | Cc1cccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| 73353369 | 89269 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 1 | 6 | 0.4 | CN1CCN(c2nc(N)nc3cccnc23)CC1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376788 | 89269 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 1 | 6 | 0.4 | CN1CCN(c2nc(N)nc3cccnc23)CC1 | 10.1016/j.bmcl.2013.02.091 | ||
| 11846636 | 77583 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL209628 | 77583 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1 | 10.1021/jm051008s | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.0c00160 | ||
| 206876 | 18741 | 7 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0341047 | ||
| CHEMBL128637 | 18741 | 7 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0341047 | ||
| 206876 | 18741 | 7 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL128637 | 18741 | 7 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 11249610 | 157412 | 0 | None | -6309 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 354 | 9 | 2 | 5 | 3.6 | Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4084820 | 157412 | 0 | None | -6309 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 354 | 9 | 2 | 5 | 3.6 | Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 137634777 | 155423 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 453 | 8 | 3 | 6 | 1.0 | CCOC(=O)CN1Cc2ccccc2C[C@@H](NC(=O)C(Cc2ccccc2)C(=O)NO)C1=O | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4061504 | 155423 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 453 | 8 | 3 | 6 | 1.0 | CCOC(=O)CN1Cc2ccccc2C[C@@H](NC(=O)C(Cc2ccccc2)C(=O)NO)C1=O | 10.1016/j.ejmech.2016.09.074 | ||
| 164611474 | 184860 | 0 | None | -478 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4861704 | 184860 | 0 | None | -478 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
| 164619427 | 185477 | 0 | None | -7 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871221 | 185477 | 0 | None | -7 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 164627774 | 185973 | 0 | None | -58 | 6 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4878215 | 185973 | 0 | None | -58 | 6 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 24994634 | 2102 | 26 | None | -60 | 7 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | -60 | 7 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | -60 | 7 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 24994634 | 2102 | 26 | None | -60 | 7 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 8984 | 2102 | 26 | None | -60 | 7 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL3236549 | 2102 | 26 | None | -60 | 7 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 155552341 | 175800 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NC2CCNC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543928 | 175800 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NC2CCNC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595906 | 175800 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 249 | 4 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NC2CCNC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 44129283 | 199332 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL602330 | 199332 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3n2)CC1 | 10.1021/jm901379s | ||
| 11846299 | 138677 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL378788 | 138677 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1 | 10.1021/jm051008s | ||
| 10934567 | 19047 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129026 | 19047 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1007/s00044-004-0106-7 | ||
| 10934567 | 19047 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0341047 | ||
| CHEMBL129026 | 19047 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0341047 | ||
| 25128833 | 187808 | 30 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 193 | 1 | 1 | 5 | -0.2 | CN1CCN(c2ccnc(N)n2)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL501882 | 187808 | 30 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 193 | 1 | 1 | 5 | -0.2 | CN1CCN(c2ccnc(N)n2)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 24826354 | 67783 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(F)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914790 | 67783 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(F)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 10934567 | 19047 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL129026 | 19047 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 271 | 1 | 1 | 2 | 2.2 | Cc1cc(C)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 16006947 | 138515 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL378619 | 138515 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 247 | 6 | 2 | 2 | 3.1 | c1nc([C@@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| 136030655 | 56173 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632413 | 56173 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 9923162 | 18736 | 5 | None | 199 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL128613 | 18736 | 5 | None | 199 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 170389 | 205243 | 31 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4634086 | 205243 | 31 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL91353 | 205243 | 31 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1274 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1016/j.bmcl.2010.10.041 | ||
| 3063228 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1196470 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1016/j.bmcl.2010.10.041 | ||
| 170389 | 205243 | 31 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL4634086 | 205243 | 31 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL91353 | 205243 | 31 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681808 | 89204 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 392 | 9 | 3 | 8 | 3.1 | CC(C)CNc1nccc(NCCN(C)c2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375748 | 89204 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 392 | 9 | 3 | 8 | 3.1 | CC(C)CNc1nccc(NCCN(C)c2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 1274 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm201042n | ||
| 3063228 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm201042n | ||
| CHEMBL1196470 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm201042n | ||
| 56851608 | 71271 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 334 | 6 | 2 | 3 | 4.3 | c1nc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)c[nH]1 | 10.1021/jm201042n | ||
| CHEMBL1923030 | 71271 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 334 | 6 | 2 | 3 | 4.3 | c1nc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)c[nH]1 | 10.1021/jm201042n | ||
| CHEMBL1963461 | 71271 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 334 | 6 | 2 | 3 | 4.3 | c1nc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)c[nH]1 | 10.1021/jm201042n | ||
| 1274 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm060880d | ||
| 3063228 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm060880d | ||
| CHEMBL1196470 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 10.1021/jm060880d | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 66572105 | 75270 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047263 | 75270 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 1.7 | CN1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66572106 | 75271 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3c(Cl)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047264 | 75271 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3c(Cl)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66573463 | 75304 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 317 | 2 | 1 | 2 | 3.1 | Cc1cc(Cl)cc2cc(C(=O)N3CC(N4CCCC4)C3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047454 | 75304 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 317 | 2 | 1 | 2 | 3.1 | Cc1cc(Cl)cc2cc(C(=O)N3CC(N4CCCC4)C3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 70696622 | 75319 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 1 | 1 | 2 | 2.7 | CN1CCCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047469 | 75319 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 1 | 1 | 2 | 2.7 | CN1CCCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 10988959 | 117592 | 4 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL340740 | 117592 | 4 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 10087533 | 194326 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 322 | 7 | 3 | 3 | 3.5 | N=C(NCCc1ccc(Cl)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202322 | 194326 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 322 | 7 | 3 | 3 | 3.5 | N=C(NCCc1ccc(Cl)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL560068 | 194326 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 322 | 7 | 3 | 3 | 3.5 | N=C(NCCc1ccc(Cl)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 46929648 | 16565 | 0 | None | -6 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 5 | 2 | 3 | 4.3 | FC(F)(F)c1ccc(SC[C@@H](c2c[nH]cn2)C2CCNCC2)cc1 | 10.1021/jm100643t | ||
| CHEMBL1243395 | 16565 | 0 | None | -6 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 5 | 2 | 3 | 4.3 | FC(F)(F)c1ccc(SC[C@@H](c2c[nH]cn2)C2CCNCC2)cc1 | 10.1021/jm100643t | ||
| 137650793 | 156888 | 0 | None | -1096 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 484 | 7 | 1 | 4 | 4.5 | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc(Br)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4078910 | 156888 | 0 | None | -1096 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 484 | 7 | 1 | 4 | 4.5 | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc(Br)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| 46912442 | 10788 | 0 | None | -575 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 4 | 1 | 3 | 2.9 | COc1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1 | 10.1016/j.bmc.2010.04.052 | ||
| CHEMBL1172775 | 10788 | 0 | None | -575 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 4 | 1 | 3 | 2.9 | COc1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1 | 10.1016/j.bmc.2010.04.052 | ||
| 57392460 | 69508 | 0 | None | 14 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938843 | 69508 | 0 | None | 14 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1 | 10.1016/j.bmcl.2011.11.098 | ||
| 136192886 | 56171 | 0 | None | -6 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 257 | 2 | 2 | 3 | 2.7 | CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632411 | 56171 | 0 | None | -6 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 257 | 2 | 2 | 3 | 2.7 | CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 1239 | 1994 | 23 | None | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1240 | 1994 | 23 | None | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 912 | 1994 | 23 | None | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL268490 | 1994 | 23 | None | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681976 | 89207 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 330 | 5 | 4 | 5 | 2.0 | Nc1nccc(NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375751 | 89207 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 330 | 5 | 4 | 5 | 2.0 | Nc1nccc(NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)n1 | 10.1021/jm301886t | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 11622672 | 74654 | 2 | None | -39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 6 | 1 | 2 | 2.6 | c1nc(CCCCCN2CCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL203389 | 74654 | 2 | None | -39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 6 | 1 | 2 | 2.6 | c1nc(CCCCCN2CCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 11679919 | 75175 | 0 | None | -39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 181 | 7 | 2 | 2 | 1.7 | CCNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL204413 | 75175 | 0 | None | -39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 181 | 7 | 2 | 2 | 1.7 | CCNCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11701199 | 75206 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 195 | 7 | 1 | 2 | 2.1 | CCN(CC)CCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL204615 | 75206 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 195 | 7 | 1 | 2 | 2.1 | CCN(CC)CCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| 10377814 | 75275 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3c(N)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047268 | 75275 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3c(N)cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
| 4563101 | 66410 | 11 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 265 | 4 | 2 | 2 | 2.1 | CN(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL185842 | 66410 | 11 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 265 | 4 | 2 | 2 | 2.1 | CN(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 71681977 | 89208 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 3 | 5 | 2.4 | CN(CCNc1ccnc(N)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1021/jm301886t | ||
| CHEMBL2375752 | 89208 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 3 | 5 | 2.4 | CN(CCNc1ccnc(N)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1 | 10.1021/jm301886t | ||
| 71681479 | 89216 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 393 | 9 | 5 | 9 | 2.7 | CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375760 | 89216 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 393 | 9 | 5 | 9 | 2.7 | CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 3063453 | 12648 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 189 | 5 | 5 | 3 | -0.1 | N=C(N)NCCCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL1187950 | 12648 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 189 | 5 | 5 | 3 | -0.1 | N=C(N)NCCCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL534498 | 12648 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 189 | 5 | 5 | 3 | -0.1 | N=C(N)NCCCCSC(=N)N | 10.1021/jm060880d | ||
| 112936341 | 136936 | 1 | None | -12 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753849 | 136936 | 1 | None | -12 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 164628701 | 185875 | 0 | None | -186 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876743 | 185875 | 0 | None | -186 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 57402928 | 69507 | 0 | None | 9 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 278 | 1 | 0 | 4 | 1.4 | CN1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938842 | 69507 | 0 | None | 9 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 278 | 1 | 0 | 4 | 1.4 | CN1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2011.11.098 | ||
| 121238071 | 166676 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 1 | 7 | 0.3 | CN1CCN(c2nc(N)nc(-c3ccncc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL4292486 | 166676 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 1 | 7 | 0.3 | CN1CCN(c2nc(N)nc(-c3ccncc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 11120826 | 18715 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL128505 | 18715 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 11120826 | 18715 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL128505 | 18715 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 49841720 | 69365 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 319 | 2 | 1 | 5 | 2.6 | CN1CCN(c2nc(N)nc3c(-c4ccccc4)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935557 | 69365 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 319 | 2 | 1 | 5 | 2.6 | CN1CCN(c2nc(N)nc3c(-c4ccccc4)cccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 44275465 | 98751 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)nc3ccccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL281590 | 98751 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)nc3ccccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 46890545 | 7289 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 6 | 1 | 4 | 4.0 | Cc1cc(OCCCN2CCN(C)CC2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086460 | 7289 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 6 | 1 | 4 | 4.0 | Cc1cc(OCCCN2CCN(C)CC2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 11120826 | 18715 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128505 | 18715 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 57399829 | 67973 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 235 | 7 | 2 | 5 | 1.3 | CN(C)CCNc1cc(NCC2CC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916505 | 67973 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 235 | 7 | 2 | 5 | 1.3 | CN(C)CCNc1cc(NCC2CC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 44126357 | 115402 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 235 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(N)nc(C(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354813 | 115402 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 235 | 3 | 2 | 5 | 1.0 | CN[C@@H]1CCN(c2cc(N)nc(C(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 57393772 | 67820 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 375 | 1 | 2 | 6 | 2.7 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Br)ccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915041 | 67820 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 375 | 1 | 2 | 6 | 2.7 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Br)ccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24854637 | 95859 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261363 | 95859 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 11738520 | 138723 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2 | 10.1021/jm051008s | ||
| CHEMBL1794919 | 138723 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2 | 10.1021/jm051008s | ||
| CHEMBL379044 | 138723 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2 | 10.1021/jm051008s | ||
| 60150162 | 173284 | 0 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 16 | 2 | 4 | 4.8 | N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccccc1 | 10.1039/C8MD00527C | ||
| CHEMBL4539444 | 173284 | 0 | None | -524 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 16 | 2 | 4 | 4.8 | N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccccc1 | 10.1039/C8MD00527C | ||
| 164624107 | 185130 | 0 | None | -70 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865765 | 185130 | 0 | None | -70 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164608941 | 183791 | 0 | None | -75 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4845733 | 183791 | 0 | None | -75 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 57392890 | 67959 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 370 | 7 | 1 | 5 | 2.5 | COc1cccc(C(O)(COc2ccccc2C)CN2CCN(C)CC2)c1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916492 | 67959 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 370 | 7 | 1 | 5 | 2.5 | COc1cccc(C(O)(COc2ccccc2C)CN2CCN(C)CC2)c1 | 10.1016/j.bmcl.2011.07.114 | ||
| 21029584 | 188269 | 4 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncnc3ccccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL506969 | 188269 | 4 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncnc3ccccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1267 | 3732 | 43 | None | -33 | 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/jm7014777 | ||
| 3035905 | 3732 | 43 | None | -33 | 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/jm7014777 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 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/jm7014777 | ||
| 90655029 | 109633 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 273 | 2 | 2 | 5 | 1.4 | Nc1nc(C2CCCC2)cc(N2C[C@@H]3CNC[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236563 | 109633 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 273 | 2 | 2 | 5 | 1.4 | Nc1nc(C2CCCC2)cc(N2C[C@@H]3CNC[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| 71518862 | 86057 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 342 | 2 | 2 | 5 | 2.6 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314775 | 86057 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 342 | 2 | 2 | 5 | 2.6 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 44547567 | 116604 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393533 | 116604 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 24826163 | 67809 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915020 | 67809 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57393773 | 67822 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 1 | 1 | 7 | 1.8 | CN1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915044 | 67822 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 1 | 1 | 7 | 1.8 | CN1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 11572877 | 66730 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 291 | 1 | 1 | 2 | 2.5 | Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL187285 | 66730 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 291 | 1 | 1 | 2 | 2.5 | Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 44129210 | 197794 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 7 | 2 | 7 | 1.4 | CNS(=O)(=O)CCCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL591711 | 197794 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 7 | 2 | 7 | 1.4 | CNS(=O)(=O)CCCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 156015638 | 177687 | 0 | None | -58 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -58 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -58 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 25179127 | 188481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1ccsc1CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| CHEMBL509852 | 188481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1ccsc1CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| 25179127 | 188481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1ccsc1CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL509852 | 188481 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1ccsc1CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 71518863 | 86058 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 3 | 2 | 6 | 2.0 | COc1ccc(-c2cc3c(N4CCN(C)CC4)nc(N)nc3[nH]2)cc1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314776 | 86058 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 3 | 2 | 6 | 2.0 | COc1ccc(-c2cc3c(N4CCN(C)CC4)nc(N)nc3[nH]2)cc1 | 10.1016/j.bmcl.2012.10.139 | ||
| 8070960 | 155139 | 10 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 2 | 0 | 5 | 1.4 | COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL405044 | 155139 | 10 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 2 | 0 | 5 | 1.4 | COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 25130576 | 187033 | 1 | None | -8 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| 25130576 | 187033 | 1 | None | -8 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| CHEMBL494890 | 187033 | 1 | None | -8 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| CHEMBL494890 | 187033 | 1 | None | -8 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| 86277887 | 123281 | 22 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 802 | 18 | 0 | 11 | 7.4 | COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC | 10.6019/CHEMBL5058648 | ||
| CHEMBL3623630 | 123281 | 22 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 802 | 18 | 0 | 11 | 7.4 | COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC | 10.6019/CHEMBL5058648 | ||
| 168294445 | 192398 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208113 | 192398 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222768 | 192398 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 25130235 | 186994 | 1 | None | 1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | ||
| 25130235 | 186994 | 1 | None | 1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL494678 | 186994 | 1 | None | 1 | 11 | Human | 7.5 | pKi | = | 7.5 | 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 | 1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 46228076 | 200406 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 2.7 | CN1CCN(c2cc(NCc3ccc(C(C)(C)C)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL608864 | 200406 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 2.7 | CN1CCN(c2cc(NCc3ccc(C(C)(C)C)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46228158 | 200463 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 4 | 2 | 7 | 1.3 | CN1CCN(c2cc(NCc3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL609289 | 200463 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 4 | 2 | 7 | 1.3 | CN1CCN(c2cc(NCc3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 57402514 | 67818 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 375 | 1 | 2 | 6 | 2.7 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Br)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915039 | 67818 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 375 | 1 | 2 | 6 | 2.7 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Br)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 164619039 | 185556 | 0 | None | -17 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4872277 | 185556 | 0 | None | -17 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 57392889 | 67958 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 379 | 4 | 1 | 5 | 2.2 | CN1CCN(c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916491 | 67958 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 379 | 4 | 1 | 5 | 2.2 | CN1CCN(c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 25130235 | 186994 | 1 | None | 1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL494678 | 186994 | 1 | None | 1 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 57393774 | 67823 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 304 | 1 | 2 | 7 | 1.4 | Nc1nc(N2CCNCC2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915045 | 67823 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 304 | 1 | 2 | 7 | 1.4 | Nc1nc(N2CCNCC2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 10083188 | 140390 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL382276 | 140390 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| 71603137 | 89272 | 0 | None | 23 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 2 | 5 | 1.9 | CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376791 | 89272 | 0 | None | 23 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 2 | 5 | 1.9 | CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25179125 | 188427 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3ccsc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL509142 | 188427 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3ccsc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25179125 | 188427 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3ccsc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL509142 | 188427 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3ccsc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 127051047 | 139768 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806162 | 139768 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 7015108 | 198214 | 8 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 343 | 3 | 0 | 7 | 1.7 | CN1CCN(c2ncnc3c2nnn3Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594729 | 198214 | 8 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 343 | 3 | 0 | 7 | 1.7 | CN1CCN(c2ncnc3c2nnn3Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46228070 | 198033 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 271 | 4 | 0 | 5 | 1.1 | CN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL593448 | 198033 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 271 | 4 | 0 | 5 | 1.1 | CN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 122193100 | 123388 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 314 | 3 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(F)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628047 | 123388 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 314 | 3 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(F)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 155513612 | 175736 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 127050018 | 140224 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.5 | CN[C@H]1CCN(c2nc(N)nc(C)c2C)C1 | 10.1039/C6MD00108D | ||
| CHEMBL3818402 | 140224 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.5 | CN[C@H]1CCN(c2nc(N)nc(C)c2C)C1 | 10.1039/C6MD00108D | ||
| 24994950 | 109651 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.5 | CN[C@@H]1CCN(c2nc(N)nc(C)c2C)C1 | 10.1021/jm401727m | ||
| CHEMBL3236580 | 109651 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.5 | CN[C@@H]1CCN(c2nc(N)nc(C)c2C)C1 | 10.1021/jm401727m | ||
| 54583875 | 61211 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770995 | 61211 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 90655028 | 109627 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.3 | Nc1nc(C2CCCC2)cc(N2CC[C@H](N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236557 | 109627 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 1.3 | Nc1nc(C2CCCC2)cc(N2CC[C@H](N)C2)n1 | 10.1021/jm401727m | ||
| 59777262 | 109642 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 283 | 4 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236572 | 109642 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 283 | 4 | 2 | 5 | 1.4 | CN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 155512725 | 175657 | 0 | None | 154 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4437371 | 175657 | 0 | None | 154 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4594753 | 175657 | 0 | None | 154 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 237 | 6 | 3 | 5 | 1.7 | CC(C)(C)CNc1nccc(NCCCN)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 46929553 | 16559 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 5 | 1 | 3 | 5.0 | CC(C)(C)c1ccc(SCC(c2cccnc2)c2c[nH]cn2)cc1 | 10.1021/jm100643t | ||
| CHEMBL1243366 | 16559 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 5 | 1 | 3 | 5.0 | CC(C)(C)c1ccc(SCC(c2cccnc2)c2c[nH]cn2)cc1 | 10.1021/jm100643t | ||
| 71519011 | 86023 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.3 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)c(Cl)c4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314496 | 86023 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.3 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Cl)c(Cl)c4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 24826598 | 67812 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 313 | 2 | 2 | 7 | 1.9 | COc1ccc2oc3c(N4CCC[C@H](N)C4)nc(N)nc3c2c1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915027 | 67812 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 313 | 2 | 2 | 7 | 1.9 | COc1ccc2oc3c(N4CCC[C@H](N)C4)nc(N)nc3c2c1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25178939 | 186257 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 397 | 5 | 1 | 6 | 3.7 | COc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)cc1 | 10.1021/jm800876b | ||
| CHEMBL489464 | 186257 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 397 | 5 | 1 | 6 | 3.7 | COc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)cc1 | 10.1021/jm800876b | ||
| 24853529 | 95664 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 3 | 0 | 5 | 3.5 | CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260388 | 95664 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 3 | 0 | 5 | 3.5 | CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 25178939 | 186257 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 397 | 5 | 1 | 6 | 3.7 | COc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)cc1 | 10.1021/jm901379s | ||
| CHEMBL489464 | 186257 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 397 | 5 | 1 | 6 | 3.7 | COc1ccc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)cc1 | 10.1021/jm901379s | ||
| 164611757 | 184310 | 0 | None | -50 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853107 | 184310 | 0 | None | -50 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 112936357 | 136821 | 1 | None | -18 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 373 | 6 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752978 | 136821 | 1 | None | -18 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 373 | 6 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 71519346 | 86047 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 232 | 1 | 2 | 6 | -0.0 | Cn1ccc2c(N3CCNCC3)nc(N)nc21 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314764 | 86047 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 232 | 1 | 2 | 6 | -0.0 | Cn1ccc2c(N3CCNCC3)nc(N)nc21 | 10.1016/j.bmcl.2012.10.139 | ||
| 58227144 | 116626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 287 | 3 | 1 | 5 | 1.8 | CN1CCN(c2cnnc(NC3CC4CCC3C4)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393555 | 116626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 287 | 3 | 1 | 5 | 1.8 | CN1CCN(c2cnnc(NC3CC4CCC3C4)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 57399018 | 67825 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 1 | 1 | 7 | 2.1 | CN1CCCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915047 | 67825 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 1 | 1 | 7 | 2.1 | CN1CCCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 16082831 | 79921 | 0 | None | -10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL214311 | 79921 | 0 | None | -10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 25178554 | 172845 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.3 | Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1 | 10.1021/jm800876b | ||
| CHEMBL452870 | 172845 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.3 | Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1 | 10.1021/jm800876b | ||
| 25178554 | 172845 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.3 | Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1 | 10.1021/jm901379s | ||
| CHEMBL452870 | 172845 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.3 | Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1 | 10.1021/jm901379s | ||
| 164610892 | 184605 | 0 | None | -52 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4857560 | 184605 | 0 | None | -52 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 71518864 | 86059 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 2 | 2 | 5 | 2.3 | Cc1ccc(-c2cc3c(N4CCN(C)CC4)nc(N)nc3[nH]2)cc1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314777 | 86059 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 2 | 2 | 5 | 2.3 | Cc1ccc(-c2cc3c(N4CCN(C)CC4)nc(N)nc3[nH]2)cc1 | 10.1016/j.bmcl.2012.10.139 | ||
| 122194626 | 123491 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1ccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3629829 | 123491 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1ccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.ejmech.2015.08.014 | ||
| 57399019 | 67829 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 2 | 2 | 7 | 1.4 | NCC1CN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915051 | 67829 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 2 | 2 | 7 | 1.4 | NCC1CN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 90645146 | 111672 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 2 | 1 | 6 | 1.0 | CN1CCN(c2nc(N)nc(-c3ccc(F)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290577 | 111672 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 2 | 1 | 6 | 1.0 | CN1CCN(c2nc(N)nc(-c3ccc(F)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 54584374 | 62779 | 0 | None | -6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | C=CCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774590 | 62779 | 0 | None | -6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | C=CCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789360 | 62779 | 0 | None | -6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | C=CCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 122193105 | 123392 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 3 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc(/C=C/c3ccc4ccccc4c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628051 | 123392 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 3 | 1 | 6 | 2.5 | CN1CCN(c2nc(N)nc(/C=C/c3ccc4ccccc4c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 921599 | 19240 | 44 | None | 234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 229 | 1 | 2 | 2 | 1.2 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | 10.1021/jm0341047 | ||
| CHEMBL129660 | 19240 | 44 | None | 234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 229 | 1 | 2 | 2 | 1.2 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | 10.1021/jm0341047 | ||
| 921599 | 19240 | 44 | None | 234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 229 | 1 | 2 | 2 | 1.2 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | 10.1021/jm0502081 | ||
| CHEMBL129660 | 19240 | 44 | None | 234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 229 | 1 | 2 | 2 | 1.2 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | 10.1021/jm0502081 | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.02.097 | ||
| 25178553 | 172844 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1csc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)c1 | 10.1021/jm800876b | ||
| CHEMBL452869 | 172844 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1csc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)c1 | 10.1021/jm800876b | ||
| 25178553 | 172844 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1csc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)c1 | 10.1021/jm901379s | ||
| CHEMBL452869 | 172844 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 4.0 | Cc1csc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)c1 | 10.1021/jm901379s | ||
| 11846465 | 141388 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL387054 | 141388 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 0 | 0 | 4 | 3.9 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1 | 10.1021/jm051008s | ||
| 56851606 | 71241 | 0 | None | -11 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 8 | 2 | 3 | 5.7 | Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1Cl | 10.1021/jm201042n | ||
| CHEMBL1923029 | 71241 | 0 | None | -11 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 8 | 2 | 3 | 5.7 | Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1Cl | 10.1021/jm201042n | ||
| CHEMBL1963244 | 71241 | 0 | None | -11 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 8 | 2 | 3 | 5.7 | Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1Cl | 10.1021/jm201042n | ||
| 51354877 | 58586 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 287 | 7 | 1 | 4 | 3.1 | c1nc(CCCc2cn(CCC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688988 | 58586 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 287 | 7 | 1 | 4 | 3.1 | c1nc(CCCc2cn(CCC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 137658819 | 158751 | 0 | None | -7585 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 9 | 1 | 5 | 3.9 | COc1cc2c(cc1OC)C(C)=C(C(=O)NCCCCN1CCN(c3ccccc3F)CC1)C2 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4099779 | 158751 | 0 | None | -7585 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 9 | 1 | 5 | 3.9 | COc1cc2c(cc1OC)C(C)=C(C(=O)NCCCCN1CCN(c3ccccc3F)CC1)C2 | 10.1016/j.ejmech.2016.09.074 | ||
| 54584374 | 62779 | 0 | None | -6 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | C=CCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774590 | 62779 | 0 | None | -6 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | C=CCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789360 | 62779 | 0 | None | -6 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | C=CCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 58227207 | 116622 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393551 | 116622 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 51354872 | 59868 | 0 | None | -323 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 291 | 6 | 0 | 5 | 2.1 | c1c(CN2CCCCC2)nnn1CCCN1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL1688983 | 59868 | 0 | None | -323 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 291 | 6 | 0 | 5 | 2.1 | c1c(CN2CCCCC2)nnn1CCCN1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL1739923 | 59868 | 0 | None | -323 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 291 | 6 | 0 | 5 | 2.1 | c1c(CN2CCCCC2)nnn1CCCN1CCCCC1 | 10.1021/jm1013488 | ||
| 68081433 | 109621 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 248 | 1 | 1 | 3 | 0.7 | CN1CCN(C(=O)c2nc3c([nH]2)CCCC3)CC1 | 10.1021/jm401727m | ||
| CHEMBL3236551 | 109621 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 248 | 1 | 1 | 3 | 0.7 | CN1CCN(C(=O)c2nc3c([nH]2)CCCC3)CC1 | 10.1021/jm401727m | ||
| 57399747 | 67780 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 319 | 2 | 2 | 6 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914787 | 67780 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 319 | 2 | 2 | 6 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)c(F)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25129169 | 186588 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| CHEMBL492231 | 186588 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| 25129169 | 186588 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL492231 | 186588 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| 3032915 | 15306 | 20 | None | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12160 | 15306 | 20 | None | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681806 | 89201 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 8 | 4 | 9 | 1.0 | CC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375667 | 89201 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 8 | 4 | 9 | 1.0 | CC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 71681639 | 89218 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 6 | 3 | 7 | 2.3 | Cc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375762 | 89218 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 6 | 3 | 7 | 2.3 | Cc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 11492393 | 3985 | 4 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 7 | 2 | 2 | 3.0 | C(CCc1cnc[nH]1)CCNC1CCCCC1 | 10.1021/jm0504353 | ||
| 1263 | 3985 | 4 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 7 | 2 | 2 | 3.0 | C(CCc1cnc[nH]1)CCNC1CCCCC1 | 10.1021/jm0504353 | ||
| CHEMBL206346 | 3985 | 4 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 7 | 2 | 2 | 3.0 | C(CCc1cnc[nH]1)CCNC1CCCCC1 | 10.1021/jm0504353 | ||
| 11557610 | 74083 | 0 | None | -10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 7 | 2 | 2 | 2.7 | c1nc(CCCCCNC2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL202744 | 74083 | 0 | None | -10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 7 | 2 | 2 | 2.7 | c1nc(CCCCCNC2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 11615406 | 138949 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 207 | 6 | 2 | 2 | 2.3 | c1nc(CCCCNC2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL379447 | 138949 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 207 | 6 | 2 | 2 | 2.3 | c1nc(CCCCNC2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 66572116 | 75293 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 1.5 | Cc1cccc2cc(C(=O)N3CCNCC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047443 | 75293 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 1.5 | Cc1cccc2cc(C(=O)N3CCNCC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 70681961 | 75305 | 2 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 1 | 2 | 2.6 | CN1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047455 | 75305 | 2 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 1 | 2 | 2.6 | CN1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70696621 | 75312 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 2 | 1 | 2 | 2.2 | O=C(c1cc2cccc(F)c2[nH]1)N1CC(N2CCCC2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047462 | 75312 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 287 | 2 | 1 | 2 | 2.2 | O=C(c1cc2cccc(F)c2[nH]1)N1CC(N2CCCC2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70692531 | 75325 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.0 | Cc1ccc(F)c2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047475 | 75325 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.0 | Cc1ccc(F)c2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 24759623 | 95889 | 16 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm800876b | ||
| CHEMBL261551 | 95889 | 16 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm800876b | ||
| 25129169 | 186588 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| CHEMBL492231 | 186588 | 0 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| 24759623 | 95889 | 16 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261551 | 95889 | 16 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 10429016 | 194476 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 7 | 3 | 3 | 3.6 | N=C(NCCc1ccc(Br)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL561250 | 194476 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 7 | 3 | 3 | 3.6 | N=C(NCCc1ccc(Br)cc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 71519012 | 86024 | 0 | None | 218 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 312 | 2 | 3 | 5 | 1.8 | Nc1nc(N2CCNCC2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314497 | 86024 | 0 | None | 218 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 312 | 2 | 3 | 5 | 1.8 | Nc1nc(N2CCNCC2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 10934158 | 108077 | 1 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL320331 | 108077 | 1 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681478 | 89215 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 9 | 4 | 8 | 3.2 | CC(C)CCc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375759 | 89215 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 9 | 4 | 8 | 3.2 | CC(C)CCc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 11629829 | 75654 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 207 | 5 | 1 | 2 | 2.2 | c1nc(CCCCN2CCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL205583 | 75654 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 207 | 5 | 1 | 2 | 2.2 | c1nc(CCCCN2CCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 25831 | 12883 | 26 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 144 | 3 | 6 | 2 | -2.0 | N=C(N)NCCNC(=N)N | 10.1021/jm060880d | ||
| CHEMBL1189742 | 12883 | 26 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 144 | 3 | 6 | 2 | -2.0 | N=C(N)NCCNC(=N)N | 10.1021/jm060880d | ||
| CHEMBL539343 | 12883 | 26 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 144 | 3 | 6 | 2 | -2.0 | N=C(N)NCCNC(=N)N | 10.1021/jm060880d | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1039/C2MD20212C | ||
| 66573456 | 75295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 243 | 2 | 2 | 2 | 1.5 | CNC1CN(C(=O)c2cc3cccc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047445 | 75295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 243 | 2 | 2 | 2 | 1.5 | CNC1CN(C(=O)c2cc3cccc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 43398194 | 75306 | 21 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | CN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047456 | 75306 | 21 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | CN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70694582 | 75310 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.1 | CN1CCCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047460 | 75310 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 2.1 | CN1CCCN(C(=O)c2cc3cccc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70686223 | 75315 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 247 | 2 | 2 | 2 | 1.4 | CNC1CN(C(=O)c2cc3cccc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047465 | 75315 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 247 | 2 | 2 | 2 | 1.4 | CNC1CN(C(=O)c2cc3cccc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70692530 | 75324 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 322 | 2 | 1 | 4 | 2.1 | CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047474 | 75324 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 322 | 2 | 1 | 4 | 2.1 | CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 1238 | 2043 | 11 | None | -19 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 6603865 | 2043 | 11 | None | -19 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL11919 | 2043 | 11 | None | -19 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 10.1016/j.bmcl.2010.10.041 | ||
| 44417445 | 12678 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 217 | 7 | 5 | 3 | 0.7 | N=C(N)NCCCCCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL1188154 | 12678 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 217 | 7 | 5 | 3 | 0.7 | N=C(N)NCCCCCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL535387 | 12678 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 217 | 7 | 5 | 3 | 0.7 | N=C(N)NCCCCCCSC(=N)N | 10.1021/jm060880d | ||
| 66572102 | 75267 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3ncccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047260 | 75267 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3ncccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 24854634 | 155603 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 4 | 0 | 4 | 4.5 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2CCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL406379 | 155603 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 4 | 0 | 4 | 4.5 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2CCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 24853528 | 166518 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 6 | 0 | 6 | 1.7 | CN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL428964 | 166518 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 6 | 0 | 6 | 1.7 | CN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 137659490 | 158638 | 0 | None | 11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 420 | 7 | 1 | 2 | 6.1 | Brc1ccc(C(OCCCc2c[nH]cn2)c2ccc3ccccc3c2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4098585 | 158638 | 0 | None | 11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 420 | 7 | 1 | 2 | 6.1 | Brc1ccc(C(OCCCc2c[nH]cn2)c2ccc3ccccc3c2)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1007/s00044-004-0106-7 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0341047 | ||
| 24803709 | 145385 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 4.3 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cc(F)cc2[nH]1 | nan | ||
| CHEMBL3917992 | 145385 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 4.3 | Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cc(F)cc2[nH]1 | nan | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 49841846 | 69380 | 0 | None | 18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 2 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935572 | 69380 | 0 | None | 18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 2 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 44129130 | 197865 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL592379 | 197865 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.03.017 | ||
| 24745337 | 61195 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770979 | 61195 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 5 | 3 | 6 | 0.9 | CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 58227340 | 116603 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393532 | 116603 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 260 | 4 | 2 | 4 | 2.2 | CN[C@@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm0502081 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800876b | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800876b | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800876b | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm800876b | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | 3 | 8 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | 3 | 8 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | 3 | 8 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | 3 | 8 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 44129133 | 197694 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 6 | 2 | 7 | 1.0 | CNS(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL591011 | 197694 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 6 | 2 | 7 | 1.0 | CNS(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmc.2011.03.046 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmc.2011.03.046 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmcl.2009.10.005 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1016/j.bmcl.2009.10.005 | ||
| 25129169 | 186588 | 0 | None | 8 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL492231 | 186588 | 0 | None | 8 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| 44129134 | 197817 | 0 | None | 22 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 384 | 5 | 2 | 7 | 0.7 | CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591969 | 197817 | 0 | None | 22 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 384 | 5 | 2 | 7 | 0.7 | CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 25129169 | 186588 | 0 | None | 8 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| CHEMBL492231 | 186588 | 0 | None | 8 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 2 | 2 | 5 | 2.3 | Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1 | 10.1021/jm800670r | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.5b00516 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.5b00516 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.5b00516 | ||
| 24745506 | 67862 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 278 | 5 | 3 | 6 | 1.3 | CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915537 | 67862 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 278 | 5 | 3 | 6 | 1.3 | CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 136042266 | 69553 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 301 | 1 | 2 | 3 | 1.8 | Cc1c(F)ccc2[nH]c(C(=N)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938975 | 69553 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 301 | 1 | 2 | 3 | 1.8 | Cc1c(F)ccc2[nH]c(C(=N)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| 136042268 | 69555 | 0 | None | 186 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 287 | 1 | 2 | 3 | 1.5 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938977 | 69555 | 0 | None | 186 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 287 | 1 | 2 | 3 | 1.5 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 25068753 | 187844 | 15 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL502347 | 187844 | 15 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 1278 | 2110 | 79 | None | 3 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| 1279 | 2110 | 79 | None | 3 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| 4908365 | 2110 | 79 | None | 3 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| CHEMBL129198 | 2110 | 79 | None | 3 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm8007618 | ||
| 25068753 | 187844 | 15 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL502347 | 187844 | 15 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 2063135 | 8278 | 9 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1093180 | 8278 | 9 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 24826437 | 67740 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 1 | 2 | 6 | 2.8 | Nc1nc(N2C[C@H]3CCCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914746 | 67740 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 1 | 2 | 6 | 2.8 | Nc1nc(N2C[C@H]3CCCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25128823 | 192105 | 0 | None | 2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 267 | 1 | 2 | 5 | 1.0 | Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL521995 | 192105 | 0 | None | 2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 267 | 1 | 2 | 5 | 1.0 | Nc1nc2c(c(N3CCNCC3)n1)Cc1ccccc1-2 | 10.1021/jm800670r | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2015.12.035 | ||
| 44129130 | 197865 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL592379 | 197865 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 460 | 7 | 2 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 54581941 | 61213 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 288 | 2 | 2 | 6 | 0.8 | Nc1nc(N2CCCC2)cc(N2CC3CCCNC3C2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770997 | 61213 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 288 | 2 | 2 | 6 | 0.8 | Nc1nc(N2CCCC2)cc(N2CC3CCCNC3C2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 24826680 | 67771 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914777 | 67771 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 2 | 2 | 6 | 2.4 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 11601630 | 132283 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3sc(Cl)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL370135 | 132283 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 283 | 1 | 1 | 3 | 2.3 | CN1CCN(C(=O)c2cc3sc(Cl)cc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 137640214 | 156413 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 5.5 | O=C(NCCCCN1Cc2cccc3cccc(c23)C1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4072893 | 156413 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 5.5 | O=C(NCCCCN1Cc2cccc3cccc(c23)C1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2016.09.074 | ||
| 71519013 | 86025 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 340 | 3 | 2 | 5 | 2.5 | CCN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314498 | 86025 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 340 | 3 | 2 | 5 | 2.5 | CCN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 168284289 | 192294 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5194860 | 192294 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222123 | 192294 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 3076002 | 178692 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL473099 | 178692 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 3076002 | 178692 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL473099 | 178692 | 2 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 90645150 | 111668 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290573 | 111668 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 2 | 1 | 6 | 1.5 | CN1CCN(c2nc(N)nc(-c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 25130576 | 187033 | 1 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| 25130576 | 187033 | 1 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| CHEMBL494890 | 187033 | 1 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm8005959 | ||
| CHEMBL494890 | 187033 | 1 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.0 | N#Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1 | 10.1021/jm800670r | ||
| 10018335 | 71653 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.6 | CN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL197477 | 71653 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.6 | CN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 57393771 | 67817 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 2 | 2 | 7 | 1.5 | COc1ccc2oc3c(N4C[C@@H]5C[C@H]4CN5)nc(N)nc3c2c1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915035 | 67817 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 2 | 2 | 7 | 1.5 | COc1ccc2oc3c(N4C[C@@H]5C[C@H]4CN5)nc(N)nc3c2c1 | 10.1016/j.bmcl.2011.08.014 | ||
| 10545988 | 62802 | 0 | None | -93 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 237 | 8 | 2 | 3 | 2.0 | C=CCCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774593 | 62802 | 0 | None | -93 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 237 | 8 | 2 | 3 | 2.0 | C=CCCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789558 | 62802 | 0 | None | -93 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 237 | 8 | 2 | 3 | 2.0 | C=CCCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 46228071 | 198484 | 15 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 1.8 | CN1CCN(c2cc(NCc3ccccc3)ncn2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL596562 | 198484 | 15 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 1.8 | CN1CCN(c2cc(NCc3ccccc3)ncn2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 46890590 | 6931 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084810 | 6931 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2CC3CCCNC3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 57400735 | 67811 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 351 | 1 | 2 | 6 | 2.9 | Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(C(F)(F)F)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915026 | 67811 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 351 | 1 | 2 | 6 | 2.9 | Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(C(F)(F)F)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 56851441 | 71240 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 7 | 2 | 3 | 4.2 | c1ccc(CN/C(=N/C2CCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1923023 | 71240 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 7 | 2 | 3 | 4.2 | c1ccc(CN/C(=N/C2CCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1963243 | 71240 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 342 | 7 | 2 | 3 | 4.2 | c1ccc(CN/C(=N/C2CCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 25147772 | 172827 | 4 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL452847 | 172827 | 4 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 16061961 | 197987 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL593103 | 197987 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 10381810 | 203453 | 0 | None | -3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL7828 | 203453 | 0 | None | -3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 137647794 | 157426 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 6 | 4.2 | COc1ccc2c(c1)c(CC(=O)NCCCn1ccnc1)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4085023 | 157426 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 6 | 4.2 | COc1ccc2c(c1)c(CC(=O)NCCCn1ccnc1)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 10545988 | 62802 | 0 | None | -93 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 237 | 8 | 2 | 3 | 2.0 | C=CCCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774593 | 62802 | 0 | None | -93 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 237 | 8 | 2 | 3 | 2.0 | C=CCCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789558 | 62802 | 0 | None | -93 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 237 | 8 | 2 | 3 | 2.0 | C=CCCCNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 122193096 | 123384 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628043 | 123384 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)cc3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 90645154 | 111676 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 338 | 2 | 1 | 6 | 1.9 | CN1CCN(c2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290581 | 111676 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 338 | 2 | 1 | 6 | 1.9 | CN1CCN(c2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 10777275 | 5803 | 1 | None | -22 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.6 | CCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1079553 | 5803 | 1 | None | -22 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.6 | CCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL156005 | 5803 | 1 | None | -22 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.6 | CCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2013.06.075 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2013.06.075 | ||
| 127036978 | 136744 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 3.6 | COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752225 | 136744 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 3.6 | COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| 164612037 | 184785 | 0 | None | -81283 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4860528 | 184785 | 0 | None | -81283 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 1224 | 1399 | 79 | None | -194 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2011.09.001 | ||
| 3100 | 1399 | 79 | None | -194 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2011.09.001 | ||
| 8980 | 1399 | 79 | None | -194 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2011.09.001 | ||
| 916 | 1399 | 79 | None | -194 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL657 | 1399 | 79 | None | -194 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2011.09.001 | ||
| DB01075 | 1399 | 79 | None | -194 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2011.09.001 | ||
| 9883231 | 112874 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 3 | 2.0 | CN1CCN(C(=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL331773 | 112874 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 3 | 2.0 | CN1CCN(C(=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2011.03.046 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmc.2011.03.046 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2009.10.005 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2009.10.005 | ||
| 24992735 | 109653 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1 | 10.1021/jm401727m | ||
| CHEMBL3236582 | 109653 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 247 | 2 | 2 | 5 | 0.7 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1 | 10.1021/jm401727m | ||
| 24826081 | 67756 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 1 | 1 | 6 | 2.9 | CN1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914762 | 67756 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 1 | 1 | 6 | 2.9 | CN1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 90645153 | 111675 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 6 | 1.2 | Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290580 | 111675 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 6 | 1.2 | Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.ejmech.2014.06.032 | ||
| 25178344 | 186293 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 4 | 2 | 6 | 1.4 | CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL489664 | 186293 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 4 | 2 | 6 | 1.4 | CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 10934158 | 108077 | 1 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| CHEMBL320331 | 108077 | 1 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 258 | 5 | 1 | 3 | 2.8 | c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 | 10.1021/jm0300025 | ||
| 24853593 | 95599 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL259956 | 95599 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 | 10.1021/jm7014217 | ||
| 54586765 | 61198 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 252 | 5 | 4 | 7 | -0.7 | CN[C@@H]1CCN(c2cc(NCCO)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770982 | 61198 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 252 | 5 | 4 | 7 | -0.7 | CN[C@@H]1CCN(c2cc(NCCO)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 44275465 | 98751 | 2 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)nc3ccccc23)CC1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL281590 | 98751 | 2 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 243 | 1 | 1 | 5 | 1.0 | CN1CCN(c2nc(N)nc3ccccc23)CC1 | 10.1016/j.bmcl.2013.02.091 | ||
| 24826080 | 67758 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 1 | 1 | 6 | 3.2 | CN1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914764 | 67758 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 1 | 1 | 6 | 3.2 | CN1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 71519349 | 86050 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 326 | 2 | 2 | 6 | 1.8 | Cn1c(-c2ccc(F)cc2)cc2c(N3CCNCC3)nc(N)nc21 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314767 | 86050 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 326 | 2 | 2 | 6 | 1.8 | Cn1c(-c2ccc(F)cc2)cc2c(N3CCNCC3)nc(N)nc21 | 10.1016/j.bmcl.2012.10.139 | ||
| 57393770 | 67814 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 315 | 1 | 2 | 6 | 2.2 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(Cl)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915031 | 67814 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 315 | 1 | 2 | 6 | 2.2 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(Cl)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 155534519 | 175899 | 0 | None | -47 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 7 | 3 | 5 | 2.7 | CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4470527 | 175899 | 0 | None | -47 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 7 | 3 | 5 | 2.7 | CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596640 | 175899 | 0 | None | -47 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 7 | 3 | 5 | 2.7 | CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 51354873 | 58583 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 267 | 6 | 1 | 4 | 2.2 | c1ccc(Cn2cc(CCCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| CHEMBL1688984 | 58583 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 267 | 6 | 1 | 4 | 2.2 | c1ccc(Cn2cc(CCCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| 51354874 | 58584 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.5 | Clc1ccc(Cn2cc(CCCc3c[nH]cn3)nn2)cc1Cl | 10.1021/jm1013488 | ||
| CHEMBL1688985 | 58584 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.5 | Clc1ccc(Cn2cc(CCCc3c[nH]cn3)nn2)cc1Cl | 10.1021/jm1013488 | ||
| 168292954 | 192385 | 0 | None | -112 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192385 | 0 | None | -112 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192385 | 0 | None | -112 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 11779175 | 62821 | 0 | None | -5 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 8 | 2 | 3 | 3.4 | O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774600 | 62821 | 0 | None | -5 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 8 | 2 | 3 | 3.4 | O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789801 | 62821 | 0 | None | -5 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 8 | 2 | 3 | 3.4 | O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 164612760 | 184125 | 0 | None | -38 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4850490 | 184125 | 0 | None | -38 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 11779175 | 62821 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 293 | 8 | 2 | 3 | 3.4 | O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774600 | 62821 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 293 | 8 | 2 | 3 | 3.4 | O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789801 | 62821 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 293 | 8 | 2 | 3 | 3.4 | O=C(NCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 58227085 | 116616 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393545 | 116616 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1039/C8MD00527C | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1039/C8MD00527C | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1039/C8MD00527C | ||
| 11846464 | 78036 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL211170 | 78036 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 361 | 0 | 0 | 4 | 4.4 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1 | 10.1021/jm051008s | ||
| 118720433 | 115397 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 206 | 3 | 1 | 4 | 0.8 | CCc1cc(N2CC[C@@H](NC)C2)ncn1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354807 | 115397 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 206 | 3 | 1 | 4 | 0.8 | CCc1cc(N2CC[C@@H](NC)C2)ncn1 | 10.1016/j.bmcl.2014.10.013 | ||
| 51354581 | 58574 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 275 | 10 | 1 | 4 | 3.1 | CCCCCCCc1cn(CCCc2c[nH]cn2)nn1 | 10.1021/jm1013488 | ||
| CHEMBL1688973 | 58574 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 275 | 10 | 1 | 4 | 3.1 | CCCCCCCc1cn(CCCc2c[nH]cn2)nn1 | 10.1021/jm1013488 | ||
| 9877454 | 203891 | 1 | None | -4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1ccc(Cc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| CHEMBL81644 | 203891 | 1 | None | -4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1ccc(Cc2c[nH]cn2)nc1 | 10.1021/jm049932u | ||
| 1613 | 2306 | 44 | None | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| 205 | 2306 | 44 | None | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| 3964 | 2306 | 44 | None | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| CHEMBL831 | 2306 | 44 | None | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| DB00408 | 2306 | 44 | None | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
| 164609493 | 183844 | 0 | None | -2630 | 6 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846380 | 183844 | 0 | None | -2630 | 6 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 71518698 | 86052 | 2 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 218 | 1 | 3 | 5 | -0.1 | Nc1nc(N2CCNCC2)c2cc[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314770 | 86052 | 2 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 218 | 1 | 3 | 5 | -0.1 | Nc1nc(N2CCNCC2)c2cc[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 4242975 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL128088 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1007/s00044-004-0106-7 | ||
| 4242975 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0341047 | ||
| CHEMBL128088 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0341047 | ||
| 16061961 | 197987 | 0 | None | 7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL593103 | 197987 | 0 | None | 7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 316 | 4 | 2 | 6 | 1.6 | CN1CCN(c2cc(NCc3ccc(F)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 11258458 | 83026 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 6 | 1 | 4 | 4.5 | Cc1ccc2[nH]c(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)nc2c1C | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL219930 | 83026 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 6 | 1 | 4 | 4.5 | Cc1ccc2[nH]c(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)nc2c1C | 10.1016/j.bmcl.2006.08.117 | ||
| 57398183 | 67695 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 347 | 4 | 3 | 7 | 1.8 | Nc1nc(N2CC[C@@H](NCCO)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914545 | 67695 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 347 | 4 | 3 | 7 | 1.8 | Nc1nc(N2CC[C@@H](NCCO)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 4242975 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| CHEMBL128088 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1021/jm0502081 | ||
| 118720438 | 115403 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 220 | 3 | 1 | 4 | 1.4 | CN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354814 | 115403 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 220 | 3 | 1 | 4 | 1.4 | CN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 24854640 | 95600 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL259957 | 95600 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 | 10.1021/jm7014217 | ||
| 135589846 | 141276 | 3 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 356 | 2 | 2 | 5 | 3.1 | OCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL386333 | 141276 | 3 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 356 | 2 | 2 | 5 | 3.1 | OCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 24826439 | 67765 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 2 | 2 | 7 | 1.4 | COc1cccc2oc3c(N4CCNCC4)nc(N)nc3c12 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914771 | 67765 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 2 | 2 | 7 | 1.4 | COc1cccc2oc3c(N4CCNCC4)nc(N)nc3c12 | 10.1016/j.bmcl.2011.08.014 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | ||
| 155556721 | 173972 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 248 | 2 | 1 | 6 | 0.6 | CC(C)=Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4556243 | 173972 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 248 | 2 | 1 | 6 | 0.6 | CC(C)=Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 24854639 | 95676 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 5 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260458 | 95676 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 5 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 11344458 | 203477 | 2 | None | -14 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cncc(CCCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| CHEMBL78497 | 203477 | 2 | None | -14 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 187 | 4 | 1 | 2 | 2.0 | c1cncc(CCCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| 51354588 | 59840 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 6 | 0 | 5 | 2.1 | c1c(CC2CCCCC2)nnn1CCCN1CCOCC1 | 10.1021/jm1013488 | ||
| CHEMBL1688980 | 59840 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 6 | 0 | 5 | 2.1 | c1c(CC2CCCCC2)nnn1CCCN1CCOCC1 | 10.1021/jm1013488 | ||
| CHEMBL1739759 | 59840 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 292 | 6 | 0 | 5 | 2.1 | c1c(CC2CCCCC2)nnn1CCCN1CCOCC1 | 10.1021/jm1013488 | ||
| 16106 | 117630 | 28 | None | -20 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL340801 | 117630 | 28 | None | -20 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 46881855 | 7649 | 0 | None | -15 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 3 | 2 | 5 | 2.5 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1089040 | 7649 | 0 | None | -15 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 3 | 2 | 5 | 2.5 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCC(c2ccccc2)C3)C1 | 10.1016/j.bmcl.2010.01.131 | ||
| 71519014 | 86026 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 354 | 3 | 2 | 5 | 2.9 | CC(C)N1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314499 | 86026 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 354 | 3 | 2 | 5 | 2.9 | CC(C)N1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 122193094 | 123382 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3ccccc3Cl)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628041 | 123382 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3ccccc3Cl)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 155513612 | 175736 | 0 | None | -1 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4439142 | 175736 | 0 | None | -1 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4515149 | 175736 | 0 | None | -1 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4595327 | 175736 | 0 | None | -1 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 | 10.1021/acs.jmedchem.9b01342 | ||
| 45379808 | 199524 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 362 | 5 | 2 | 6 | 1.6 | CC(=O)NCCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL603621 | 199524 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 362 | 5 | 2 | 6 | 1.6 | CC(=O)NCCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 168286426 | 192314 | 0 | None | -109 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192314 | 0 | None | -109 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192314 | 0 | None | -109 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164620139 | 185196 | 0 | None | -56 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4866734 | 185196 | 0 | None | -56 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 136042267 | 69554 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938976 | 69554 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 11623296 | 116509 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 1 | 1 | 3 | 1.2 | CN1CCN(C(=O)c2nc3c(F)c(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL338972 | 116509 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 1 | 1 | 3 | 1.2 | CN1CCN(C(=O)c2nc3c(F)c(F)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 11066922 | 19210 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129436 | 19210 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 11066922 | 19210 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL129436 | 19210 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 49841845 | 69381 | 0 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935573 | 69381 | 0 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 25068753 | 187844 | 15 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL502347 | 187844 | 15 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 | 10.1016/j.bmcl.2011.10.104 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm7014777 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.10.013 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.12.027 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.10.013 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.12.027 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.10.013 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2014.12.027 | ||
| 58227086 | 116628 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393557 | 116628 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401727m | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401727m | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401727m | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm401727m | ||
| 2063135 | 8278 | 9 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1021/jm401727m | ||
| CHEMBL1093180 | 8278 | 9 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 302 | 1 | 0 | 5 | 2.8 | CN1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 | 10.1021/jm401727m | ||
| 23650959 | 109619 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 5.3 | Cc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/jm401727m | ||
| CHEMBL3236548 | 109619 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 5.3 | Cc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/jm401727m | ||
| 11066922 | 19210 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129436 | 19210 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 155524115 | 175963 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4454158 | 175963 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4597218 | 175963 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.0c00160 | ||
| 70696620 | 75300 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 1.8 | CN1CCN(C(=O)c2cc3cc(Cl)cc(N)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047450 | 75300 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 1.8 | CN1CCN(C(=O)c2cc3cc(Cl)cc(N)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 25129523 | 186694 | 40 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| CHEMBL492884 | 186694 | 40 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm800670r | ||
| 76311195 | 105558 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 2 | 2 | 6 | 1.1 | CN1CCN(c2cc(-c3ccc(N)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL3133130 | 105558 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 284 | 2 | 2 | 6 | 1.1 | CN1CCN(c2cc(-c3ccc(N)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 25129523 | 186694 | 40 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL492884 | 186694 | 40 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 25128824 | 192565 | 0 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| CHEMBL523225 | 192565 | 0 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| 155524115 | 175963 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4454158 | 175963 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597218 | 175963 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 286 | 3 | 2 | 5 | 2.2 | CC(C)(C)CNc1nccc(N2CCc3nc[nH]c3C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25128824 | 192565 | 0 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| CHEMBL523225 | 192565 | 0 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 313 | 1 | 2 | 5 | 1.8 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 | 10.1021/jm800670r | ||
| 25071004 | 192106 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| CHEMBL521996 | 192106 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 309 | 2 | 2 | 5 | 2.0 | CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 | 10.1021/jm800670r | ||
| 11705395 | 15861 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL1223749 | 15861 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl | 10.1016/j.ejmech.2016.09.074 | ||
| 24826162 | 67785 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914792 | 67785 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 71519674 | 89285 | 0 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376804 | 89285 | 0 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 270 | 3 | 2 | 6 | 0.9 | CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 46890072 | 6817 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 404 | 8 | 2 | 4 | 4.9 | Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084355 | 6817 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 404 | 8 | 2 | 4 | 4.9 | Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 24994634 | 2102 | 26 | None | 2 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 8984 | 2102 | 26 | None | 2 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| CHEMBL3236549 | 2102 | 26 | None | 2 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/jm401727m | ||
| 24994634 | 2102 | 26 | None | 2 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 8984 | 2102 | 26 | None | 2 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL3236549 | 2102 | 26 | None | 2 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 10.1021/acs.jmedchem.5b00516 | ||
| 44129056 | 197909 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 7 | 1 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)N(C)c3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL592663 | 197909 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 7 | 1 | 7 | 2.9 | CN1CCN(c2nc(NCCS(=O)(=O)N(C)c3ccccc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 25128822 | 186888 | 0 | None | 10 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1021/jm800670r | ||
| CHEMBL494093 | 186888 | 0 | None | 10 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1021/jm800670r | ||
| 11554490 | 15862 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL1223750 | 15862 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| 24797956 | 109628 | 3 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.9 | Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236558 | 109628 | 3 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 233 | 2 | 2 | 5 | 0.9 | Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 | 10.1021/jm401727m | ||
| 24825514 | 186262 | 0 | None | 5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 256 | 4 | 1 | 2 | 3.6 | CC(C)(C)CC(=O)c1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm7014149 | ||
| CHEMBL489493 | 186262 | 0 | None | 5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 256 | 4 | 1 | 2 | 3.6 | CC(C)(C)CC(=O)c1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm7014149 | ||
| 24825515 | 186724 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 238 | 2 | 1 | 1 | 3.4 | CC(C)(C)C#Cc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm7014149 | ||
| CHEMBL493014 | 186724 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 238 | 2 | 1 | 1 | 3.4 | CC(C)(C)C#Cc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm7014149 | ||
| 11301441 | 95694 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1021/jm800876b | ||
| CHEMBL260549 | 95694 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1021/jm800876b | ||
| 11301441 | 95694 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260549 | 95694 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1021/jm7014217 | ||
| 24825791 | 67698 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 317 | 1 | 2 | 6 | 2.5 | Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914548 | 67698 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 317 | 1 | 2 | 6 | 2.5 | Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 25109291 | 190782 | 9 | None | -501 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 190782 | 9 | None | -501 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 45379922 | 197872 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 2.8 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(I)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL592434 | 197872 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 2.8 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(I)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 54585777 | 61190 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 297 | 5 | 3 | 5 | 2.1 | CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770974 | 61190 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 297 | 5 | 3 | 5 | 2.1 | CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 118720441 | 115407 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 260 | 3 | 3 | 4 | 2.5 | Nc1cc(C2CCNCC2)cc(NC2CCCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354819 | 115407 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 260 | 3 | 3 | 4 | 2.5 | Nc1cc(C2CCNCC2)cc(NC2CCCC2)n1 | 10.1016/j.bmcl.2014.10.013 | ||
| 24826518 | 67747 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 1 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914753 | 67747 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 1 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmc.2009.08.059 | ||
| 136192886 | 56171 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 2 | 2 | 3 | 2.7 | CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632411 | 56171 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 2 | 2 | 3 | 2.7 | CN1CCC(/C(=N/O)c2cc3ccccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136141537 | 56172 | 1 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632412 | 56172 | 1 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.0 | Cc1ccc2[nH]c(/C(=N\O)C3CCN(C)CC3)cc2c1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71525678 | 89281 | 0 | None | -5 | 6 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376800 | 89281 | 0 | None | -5 | 6 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 1267 | 3732 | 43 | None | -14 | 28 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm100064d | ||
| 3035905 | 3732 | 43 | None | -14 | 28 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm100064d | ||
| CHEMBL260374 | 3732 | 43 | None | -14 | 28 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm100064d | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 1269 | 121 | 33 | None | 213 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | 213 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | 213 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1255 | 3134 | 11 | None | -12 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 6 | 1 | 2 | 2.6 | C(CCc1cnc[nH]1)OCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 6421522 | 3134 | 11 | None | -12 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 6 | 1 | 2 | 2.6 | C(CCc1cnc[nH]1)OCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL19173 | 3134 | 11 | None | -12 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 216 | 6 | 1 | 2 | 2.6 | C(CCc1cnc[nH]1)OCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10017000 | 202770 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72431 | 202770 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/jm201042n | ||
| 71681644 | 89223 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 9 | 4 | 8 | 3.8 | CC(C)CNc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375767 | 89223 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 412 | 9 | 4 | 8 | 3.8 | CC(C)CNc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 71681805 | 89228 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 9 | 3 | 8 | 3.8 | CC(C)CNc1nccc(NCCN(C)c2cc(-c3cccc(Cl)c3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375771 | 89228 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 9 | 3 | 8 | 3.8 | CC(C)CNc1nccc(NCCN(C)c2cc(-c3cccc(Cl)c3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 11506928 | 74078 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 235 | 6 | 2 | 2 | 3.0 | c1nc(CCCCNC2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL202728 | 74078 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 235 | 6 | 2 | 2 | 3.0 | c1nc(CCCCNC2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 11600779 | 75680 | 0 | None | -6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 181 | 7 | 2 | 2 | 1.7 | CCCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL205731 | 75680 | 0 | None | -6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 181 | 7 | 2 | 2 | 1.7 | CCCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11536119 | 138165 | 0 | None | -15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 249 | 7 | 2 | 2 | 3.4 | c1nc(CCCCCNC2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL377954 | 138165 | 0 | None | -15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 249 | 7 | 2 | 2 | 3.4 | c1nc(CCCCCNC2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 4242975 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL128088 | 18639 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1016/j.ejmech.2012.06.016 | ||
| 45379921 | 197514 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 6 | 1 | 7 | 3.6 | CN1CCN(c2nc(NCCc3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL589800 | 197514 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 6 | 1 | 7 | 3.6 | CN1CCN(c2nc(NCCc3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 9972181 | 193537 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 302 | 8 | 3 | 3 | 3.2 | N=C(NCCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202331 | 193537 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 302 | 8 | 3 | 3 | 3.2 | N=C(NCCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL550757 | 193537 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 302 | 8 | 3 | 3 | 3.2 | N=C(NCCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 10063835 | 62778 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 9 | 2 | 3 | 3.8 | O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774601 | 62778 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 9 | 2 | 3 | 3.8 | O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789356 | 62778 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 307 | 9 | 2 | 3 | 3.8 | O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 46890200 | 7066 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 442 | 9 | 1 | 4 | 5.4 | CN(C)CCN(C)CCCOc1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1Cl | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1085403 | 7066 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 442 | 9 | 1 | 4 | 5.4 | CN(C)CCN(C)CCCOc1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1Cl | 10.1016/j.bmcl.2010.04.017 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 71681803 | 89172 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 378 | 9 | 4 | 8 | 3.1 | CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)ncn1 | 10.1021/jm301886t | ||
| CHEMBL2375363 | 89172 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 378 | 9 | 4 | 8 | 3.1 | CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)ncn1 | 10.1021/jm301886t | ||
| 11672774 | 3986 | 6 | None | -31 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 6 | 1 | 2 | 1.7 | CN(CCCCCc1[nH]cnc1)C | 10.1021/jm0504353 | ||
| 1245 | 3986 | 6 | None | -31 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 6 | 1 | 2 | 1.7 | CN(CCCCCc1[nH]cnc1)C | 10.1021/jm0504353 | ||
| CHEMBL206548 | 3986 | 6 | None | -31 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 181 | 6 | 1 | 2 | 1.7 | CN(CCCCCc1[nH]cnc1)C | 10.1021/jm0504353 | ||
| 11564628 | 75165 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 193 | 5 | 1 | 2 | 1.8 | c1nc(CCCCN2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL204360 | 75165 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 193 | 5 | 1 | 2 | 1.8 | c1nc(CCCCN2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 11629931 | 75943 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 5 | 1 | 2 | 2.6 | c1nc(CCCCN2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL205868 | 75943 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 5 | 1 | 2 | 2.6 | c1nc(CCCCN2CCCCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 70686222 | 75314 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 2 | 2 | 2 | 1.7 | CN[C@@H]1CCN(C(=O)c2cc3cccc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047464 | 75314 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 261 | 2 | 2 | 2 | 1.7 | CN[C@@H]1CCN(C(=O)c2cc3cccc(F)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
| 44395314 | 123156 | 0 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 2 | 2 | 2 | 3.2 | CN1CCC(C(O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL362163 | 123156 | 0 | None | -3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 2 | 2 | 2 | 3.2 | CN1CCC(C(O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 126688 | 400 | 28 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
| 4025 | 400 | 28 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL293762 | 400 | 28 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
| 66572110 | 75276 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 1.8 | CC(=O)c1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047269 | 75276 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 1 | 3 | 1.8 | CC(=O)c1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12 | 10.1016/j.ejmech.2012.06.016 | ||
| 70684085 | 75307 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 1 | 1 | 2 | 3.0 | CN1CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047457 | 75307 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 1 | 1 | 2 | 3.0 | CN1CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 10063835 | 62778 | 0 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 307 | 9 | 2 | 3 | 3.8 | O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774601 | 62778 | 0 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 307 | 9 | 2 | 3 | 3.8 | O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789356 | 62778 | 0 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 307 | 9 | 2 | 3 | 3.8 | O=C(NCCCCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 206876 | 18741 | 7 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1039/C2MD20212C | ||
| CHEMBL128637 | 18741 | 7 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 273 | 2 | 1 | 3 | 1.6 | COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 | 10.1039/C2MD20212C | ||
| 57395620 | 67859 | 0 | None | 15 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915534 | 67859 | 0 | None | 15 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.125 | ||
| 57395620 | 67859 | 0 | None | 15 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915534 | 67859 | 0 | None | 15 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 90645160 | 111682 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 306 | 2 | 1 | 6 | 1.2 | CN1CCN(c2nc(N)nc(-c3c(F)cccc3F)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290587 | 111682 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 306 | 2 | 1 | 6 | 1.2 | CN1CCN(c2nc(N)nc(-c3c(F)cccc3F)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 57390145 | 69548 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 290 | 1 | 2 | 3 | 1.5 | O=C(c1nc2cc(Cl)ccc2[nH]1)N1C[C@@H]2CNC[C@@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938970 | 69548 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 290 | 1 | 2 | 3 | 1.5 | O=C(c1nc2cc(Cl)ccc2[nH]1)N1C[C@@H]2CNC[C@@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 49865668 | 15860 | 0 | None | -51 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL1223748 | 15860 | 0 | None | -51 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 | 10.1016/j.ejmech.2016.09.074 | ||
| 54586764 | 61194 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N(C)C(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770978 | 61194 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 264 | 4 | 2 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N(C)C(C)C)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 44546966 | 116596 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 248 | 4 | 1 | 4 | 1.9 | CC(C)CNc1cc(N2CCN(C)CC2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393525 | 116596 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 248 | 4 | 1 | 4 | 1.9 | CC(C)CNc1cc(N2CCN(C)CC2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| 9964223 | 203964 | 11 | None | -36 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cncc(CCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| CHEMBL82244 | 203964 | 11 | None | -36 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 173 | 3 | 1 | 2 | 1.6 | c1cncc(CCc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| 90645148 | 111670 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 295 | 2 | 1 | 7 | 0.7 | CN1CCN(c2nc(N)nc(-c3cccc(C#N)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290575 | 111670 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 295 | 2 | 1 | 7 | 0.7 | CN1CCN(c2nc(N)nc(-c3cccc(C#N)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 56950378 | 69510 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 302 | 1 | 1 | 3 | 1.6 | Cc1c(F)ccc2[nH]c(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938845 | 69510 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 302 | 1 | 1 | 3 | 1.6 | Cc1c(F)ccc2[nH]c(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 | 10.1016/j.bmcl.2011.11.098 | ||
| 25071940 | 186761 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 1 | 2 | 5 | 1.2 | Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL493281 | 186761 | 0 | None | -5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 1 | 2 | 5 | 1.2 | Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2 | 10.1021/jm800670r | ||
| 90645145 | 111673 | 0 | None | 28 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 2 | 1 | 6 | 1.6 | CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL3290578 | 111673 | 0 | None | 28 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 2 | 1 | 6 | 1.6 | CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 66741667 | 109636 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 2 | 2 | 6 | 0.9 | Nc1nc(C2CCCC2)cc(N2C[C@@H]3NCCO[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3236566 | 109636 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 2 | 2 | 6 | 0.9 | Nc1nc(C2CCCC2)cc(N2C[C@@H]3NCCO[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| 122194623 | 123488 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 296 | 3 | 1 | 6 | 1.4 | CN1CCN(c2nc(N)nc(/C=C/c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3629826 | 123488 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 296 | 3 | 1 | 6 | 1.4 | CN1CCN(c2nc(N)nc(/C=C/c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 90645145 | 111673 | 0 | None | 28 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 2 | 1 | 6 | 1.6 | CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290578 | 111673 | 0 | None | 28 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 2 | 1 | 6 | 1.6 | CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 10083861 | 15317 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 1.3 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)nc2c1 | 10.1021/jm0502081 | ||
| CHEMBL121679 | 15317 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 1.3 | Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)nc2c1 | 10.1021/jm0502081 | ||
| 121238067 | 166547 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 3 | 1 | 6 | 0.4 | CC(C)Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4290148 | 166547 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 250 | 3 | 1 | 6 | 0.4 | CC(C)Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 57394636 | 67689 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 1 | 0 | 5 | 2.6 | CN1CCN(c2ncnc3c2sc2ccccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914534 | 67689 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 1 | 0 | 5 | 2.6 | CN1CCN(c2ncnc3c2sc2ccccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 71525587 | 89283 | 0 | None | 177 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 2 | 2 | 7 | -0.1 | CNC1CN(c2nc(N)nc3cc(C#N)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376802 | 89283 | 0 | None | 177 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 2 | 2 | 7 | -0.1 | CNC1CN(c2nc(N)nc3cc(C#N)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 753256 | 178760 | 10 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2cc(N)nc(N)n2)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL473662 | 178760 | 10 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 208 | 1 | 2 | 6 | -0.6 | CN1CCN(c2cc(N)nc(N)n2)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 46228143 | 198390 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 343 | 5 | 2 | 8 | 1.3 | CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL595880 | 198390 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 343 | 5 | 2 | 8 | 1.3 | CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 24745335 | 292 | 7 | None | -6 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 8985 | 292 | 7 | None | -6 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1915540 | 292 | 7 | None | -6 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| DB15027 | 292 | 7 | None | -6 | 5 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 24745335 | 292 | 7 | None | -4 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 8985 | 292 | 7 | None | -4 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL1915540 | 292 | 7 | None | -4 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| DB15027 | 292 | 7 | None | -4 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2013.02.091 | ||
| 51354583 | 58576 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 6 | 1 | 4 | 3.1 | c1nc(CCCn2cc(CC3CCCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688975 | 58576 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 6 | 1 | 4 | 3.1 | c1nc(CCCn2cc(CC3CCCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 71518860 | 86055 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 308 | 2 | 2 | 5 | 2.0 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccccc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314773 | 86055 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 308 | 2 | 2 | 5 | 2.0 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccccc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 46228113 | 200379 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 328 | 5 | 2 | 7 | 1.4 | COc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL608717 | 200379 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 328 | 5 | 2 | 7 | 1.4 | COc1ccc(CNc2cc(N3CCN(C)CC3)nc(N)n2)cc1 | 10.1016/j.bmc.2009.08.059 | ||
| 164611807 | 184391 | 0 | None | -162 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4854278 | 184391 | 0 | None | -162 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 49841718 | 69377 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 349 | 3 | 1 | 6 | 2.6 | COc1ccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)cc1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935569 | 69377 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 349 | 3 | 1 | 6 | 2.6 | COc1ccc(-c2ccc3c(N4CCN(C)CC4)nc(N)nc3c2)cc1 | 10.1016/j.bmcl.2011.10.104 | ||
| 58227143 | 116612 | 1 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 249 | 5 | 1 | 5 | 1.4 | CCCCNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393541 | 116612 | 1 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 249 | 5 | 1 | 5 | 1.4 | CCCCNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 67087450 | 116621 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393550 | 116621 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 249 | 5 | 2 | 5 | 1.3 | CN[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 46890071 | 6816 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 8 | 2 | 4 | 4.7 | Cc1cc(OCCCNCC2CCCN(C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1084354 | 6816 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 8 | 2 | 4 | 4.7 | Cc1cc(OCCCNCC2CCCN(C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 66740470 | 109297 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 289 | 2 | 2 | 6 | 0.9 | Nc1nc(C2CCCC2)cc(N2C[C@H]3NCCO[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| CHEMBL3233048 | 109297 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 289 | 2 | 2 | 6 | 0.9 | Nc1nc(C2CCCC2)cc(N2C[C@H]3NCCO[C@@H]3C2)n1 | 10.1021/jm401727m | ||
| 2306318 | 86566 | 12 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL232421 | 86566 | 12 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 121238068 | 156656 | 0 | None | -281 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(Cc3cccc4ccccc34)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL4076046 | 156656 | 0 | None | -281 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(Cc3cccc4ccccc34)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 25178341 | 186217 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 4 | 2 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL489271 | 186217 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 4 | 2 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178341 | 186217 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 4 | 2 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL489271 | 186217 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 4 | 2 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 25178556 | 188486 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 4 | 1 | 6 | 4.9 | CN1CCN(c2nc(NCc3cc4ccccc4s3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL509961 | 188486 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 423 | 4 | 1 | 6 | 4.9 | CN1CCN(c2nc(NCc3cc4ccccc4s3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 23649429 | 95837 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 326 | 2 | 0 | 5 | 2.7 | COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261224 | 95837 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 326 | 2 | 0 | 5 | 2.7 | COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 44478385 | 5684 | 2 | None | 9 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078642 | 5684 | 2 | None | 9 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| 25178344 | 186293 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 321 | 4 | 2 | 6 | 1.4 | CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL489664 | 186293 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 321 | 4 | 2 | 6 | 1.4 | CN1CCN(c2nc(NCCO)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 24853597 | 95836 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 3 | 0 | 5 | 3.5 | Cc1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1 | 10.1021/jm7014217 | ||
| CHEMBL261223 | 95836 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 3 | 0 | 5 | 3.5 | Cc1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1 | 10.1021/jm7014217 | ||
| 8070044 | 155399 | 10 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 300 | 4 | 0 | 5 | 2.4 | CC(C)COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL406123 | 155399 | 10 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 300 | 4 | 0 | 5 | 2.4 | CC(C)COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 16061844 | 61197 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 298 | 5 | 3 | 6 | 1.5 | CN[C@@H]1CCN(c2cc(NCc3ccccc3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770981 | 61197 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 298 | 5 | 3 | 6 | 1.5 | CN[C@@H]1CCN(c2cc(NCc3ccccc3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 57403351 | 67966 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916499 | 67966 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN(C)[C@@H]1CCN(c2cc(NCC(C)(C)C)ncn2)C1 | 10.1016/j.bmcl.2011.07.114 | ||
| 156011443 | 177756 | 0 | None | -50 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 8 | 1 | 2 | 4.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4636487 | 177756 | 0 | None | -50 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 8 | 1 | 2 | 4.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4651225 | 177756 | 0 | None | -50 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 387 | 8 | 1 | 2 | 4.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 25178339 | 186191 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 4.0 | CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL489061 | 186191 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 4.0 | CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 51354585 | 58578 | 0 | None | -5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 245 | 5 | 1 | 4 | 2.0 | c1nc(CCn2cc(CC3CCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688977 | 58578 | 0 | None | -5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 245 | 5 | 1 | 4 | 2.0 | c1nc(CCn2cc(CC3CCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 51354876 | 59869 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCc2cn(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1739924 | 59869 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCc2cn(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL3216267 | 59869 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCc2cn(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 12741697 | 95700 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 1 | 0 | 3 | 2.6 | CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260565 | 95700 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 1 | 0 | 3 | 2.6 | CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1 | 10.1021/jm7014217 | ||
| 25178339 | 186191 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 4.0 | CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL489061 | 186191 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 4.0 | CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 919019 | 136196 | 7 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 2 | 1 | 5 | 1.9 | COc1ccc2[nH]c3c(N4CCN(C)CC4)ncnc3c2c1 | 10.1039/C5MD00022J | ||
| CHEMBL3740837 | 136196 | 7 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 2 | 1 | 5 | 1.9 | COc1ccc2[nH]c3c(N4CCN(C)CC4)ncnc3c2c1 | 10.1039/C5MD00022J | ||
| 929854 | 197397 | 8 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.7 | CN(C)CCNc1ncnc2c1[nH]c1ccc(Cl)cc12 | 10.1039/C5MD00022J | ||
| CHEMBL588176 | 197397 | 8 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.7 | CN(C)CCNc1ncnc2c1[nH]c1ccc(Cl)cc12 | 10.1039/C5MD00022J | ||
| 168278543 | 192239 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184846 | 192239 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221764 | 192239 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295803 | 192433 | 0 | None | -6 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207206 | 192433 | 0 | None | -6 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222937 | 192433 | 0 | None | -6 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 57402471 | 67519 | 0 | None | -549 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 469 | 8 | 1 | 5 | 4.0 | COc1ccc(CN(CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910378 | 67519 | 0 | None | -549 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 469 | 8 | 1 | 5 | 4.0 | COc1ccc(CN(CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 164614645 | 184539 | 0 | None | -57 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856572 | 184539 | 0 | None | -57 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 57394627 | 67964 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 5 | 2 | 5 | 2.4 | CN1CC[C@H](Nc2cc(NCCC(C)(C)C)ncn2)C1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916497 | 67964 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 5 | 2 | 5 | 2.4 | CN1CC[C@H](Nc2cc(NCCC(C)(C)C)ncn2)C1 | 10.1016/j.bmcl.2011.07.114 | ||
| 71519179 | 86045 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 312 | 3 | 4 | 5 | 2.1 | Nc1nc(N[C@H]2CCNC2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314762 | 86045 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 312 | 3 | 4 | 5 | 2.1 | Nc1nc(N[C@H]2CCNC2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 1204 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1247 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1375 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 774 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL90 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| DB05381 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 1278 | 2110 | 79 | None | 3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 1279 | 2110 | 79 | None | 3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 4908365 | 2110 | 79 | None | 3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL129198 | 2110 | 79 | None | 3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.10.104 | ||
| 44538833 | 69361 | 21 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@H]2CCCC[C@H]2O1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935450 | 69361 | 21 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@H]2CCCC[C@H]2O1 | 10.1016/j.bmcl.2011.10.104 | ||
| 49841719 | 69379 | 0 | None | 38 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935571 | 69379 | 0 | None | 38 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 309 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 11846300 | 79841 | 3 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL213912 | 79841 | 3 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 11301441 | 95694 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL260549 | 95694 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 1 | 1 | 4 | 2.0 | CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 54582865 | 61175 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770959 | 61175 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54584825 | 61206 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770990 | 61206 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 25130912 | 188143 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL505061 | 188143 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 2 | 1 | 6 | 0.4 | CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54584825 | 61206 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL1770990 | 61206 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 250 | 4 | 3 | 6 | 0.7 | CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 58227157 | 115404 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354815 | 115404 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 58227200 | 116606 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393535 | 116606 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227337 | 116624 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393553 | 116624 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 261 | 4 | 2 | 5 | 1.6 | CN[C@@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1016/j.bmcl.2011.07.125 | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 10.1021/acs.jmedchem.5b00516 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44595856 | 89213 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 356 | 6 | 4 | 8 | 2.3 | Nc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375757 | 89213 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 356 | 6 | 4 | 8 | 2.3 | Nc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm301886t | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm301886t | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm301886t | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/jm301886t | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1021/jm201042n | ||
| 25129523 | 186694 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL492884 | 186694 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.ejmech.2012.06.016 | ||
| 11066922 | 19210 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL129436 | 19210 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 311 | 1 | 1 | 2 | 2.9 | CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66573458 | 75297 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 295 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047447 | 75297 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 295 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3c(F)c(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66573459 | 75298 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 295 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047448 | 75298 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 295 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 9860842 | 75299 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 1 | 2 | 2.5 | Cc1cc(Cl)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047449 | 75299 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 291 | 1 | 1 | 2 | 2.5 | Cc1cc(Cl)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 10.1016/j.bmc.2009.04.007 | ||
| 71525681 | 89284 | 0 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376803 | 89284 | 0 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 136042270 | 69557 | 0 | None | 426 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 1 | 2 | 3 | 1.4 | CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938979 | 69557 | 0 | None | 426 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 1 | 2 | 3 | 1.4 | CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 25178552 | 172829 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 5 | 1 | 6 | 3.8 | CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL452848 | 172829 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 5 | 1 | 6 | 3.8 | CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178552 | 172829 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 5 | 1 | 6 | 3.8 | CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL452848 | 172829 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 5 | 1 | 6 | 3.8 | CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 90645158 | 111680 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 334 | 3 | 1 | 7 | 1.5 | COc1ccc(Cl)cc1-c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290585 | 111680 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 334 | 3 | 1 | 7 | 1.5 | COc1ccc(Cl)cc1-c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2014.06.032 | ||
| 57399828 | 67970 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 345 | 5 | 1 | 5 | 3.8 | CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916502 | 67970 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 345 | 5 | 1 | 5 | 3.8 | CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 805994 | 173773 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 4 | 1 | 6 | 2.6 | CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL455133 | 173773 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 4 | 1 | 6 | 2.6 | CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 805994 | 173773 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 4 | 1 | 6 | 2.6 | CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL455133 | 173773 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 4 | 1 | 6 | 2.6 | CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 168286141 | 192312 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5192993 | 192312 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222231 | 192312 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46890167 | 7163 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 5.6 | CN1CCC(N(C)CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1085872 | 7163 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 454 | 7 | 1 | 4 | 5.6 | CN1CCC(N(C)CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.017 | ||
| 9966927 | 18672 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL128252 | 18672 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 9966927 | 18672 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL128252 | 18672 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 9966927 | 18672 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128252 | 18672 | 4 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 12686479 | 161234 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1021/jm7014217 | ||
| CHEMBL414183 | 161234 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1021/jm7014217 | ||
| 1265 | 927 | 54 | None | -2290 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1016/j.bmc.2011.03.046 | ||
| 6422124 | 927 | 54 | None | -2290 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL14638 | 927 | 54 | None | -2290 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1016/j.bmc.2011.03.046 | ||
| 1265 | 927 | 54 | None | -2290 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1016/j.bmcl.2009.10.005 | ||
| 6422124 | 927 | 54 | None | -2290 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL14638 | 927 | 54 | None | -2290 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1016/j.bmcl.2009.10.005 | ||
| 57390262 | 67828 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 290 | 1 | 2 | 7 | 1.2 | Nc1nc(N2CC(N)C2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915050 | 67828 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 290 | 1 | 2 | 7 | 1.2 | Nc1nc(N2CC(N)C2)c2oc3ncc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 155552102 | 175979 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 291 | 3 | 3 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CCN(C(=N)N)CC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4576393 | 175979 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 291 | 3 | 3 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CCN(C(=N)N)CC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4597352 | 175979 | 0 | None | 9 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 291 | 3 | 3 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CCN(C(=N)N)CC2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 25178936 | 186190 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 0 | 5 | 2.1 | CN1CCN(c2nc(N(C)C)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL489060 | 186190 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 0 | 5 | 2.1 | CN1CCN(c2nc(N(C)C)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178936 | 186190 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 0 | 5 | 2.1 | CN1CCN(c2nc(N(C)C)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL489060 | 186190 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 0 | 5 | 2.1 | CN1CCN(c2nc(N(C)C)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 137646103 | 157352 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 8 | 3 | 3 | 3.7 | O=C(O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4084275 | 157352 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 8 | 3 | 3 | 3.7 | O=C(O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 42624149 | 109638 | 1 | None | -3 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236568 | 109638 | 1 | None | -3 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 221 | 3 | 2 | 5 | 0.4 | CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 58227127 | 116614 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 261 | 3 | 1 | 5 | 1.6 | CN1CCN(c2ccnc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393543 | 116614 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 261 | 3 | 1 | 5 | 1.6 | CN1CCN(c2ccnc(NC3CCCC3)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44395308 | 66479 | 0 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 369 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cc(I)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL186108 | 66479 | 0 | None | 39 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 369 | 1 | 1 | 2 | 2.2 | CN1CCN(C(=O)c2cc3cc(I)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 155552061 | 175894 | 0 | None | 38 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4543119 | 175894 | 0 | None | 38 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596606 | 175894 | 0 | None | 38 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 3 | 1 | 5 | 2.1 | CN1CCCN(c2ccnc(NCC(C)(C)C)n2)CC1 | 10.1021/acs.jmedchem.9b01342 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 10017821 | 103297 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL308913 | 103297 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.4 | S=C(NCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.0c00160 | ||
| 10023327 | 168439 | 0 | None | -144 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL43934 | 168439 | 0 | None | -144 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.2 | Clc1ccc(CN/C(=N\C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 11499454 | 74056 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 209 | 6 | 2 | 2 | 2.5 | CC(C)(C)NCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL202638 | 74056 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 209 | 6 | 2 | 2 | 2.5 | CC(C)(C)NCCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 10446240 | 74634 | 1 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 8 | 2 | 2 | 3.6 | Clc1ccc(CNCCCCCc2c[nH]cn2)cc1 | 10.1021/jm0504353 | ||
| CHEMBL203263 | 74634 | 1 | None | -50 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 8 | 2 | 2 | 3.6 | Clc1ccc(CNCCCCCc2c[nH]cn2)cc1 | 10.1021/jm0504353 | ||
| 11622495 | 76209 | 0 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.1 | CCCCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL206303 | 76209 | 0 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.1 | CCCCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.ejmech.2014.03.014 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.ejmech.2014.03.014 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.ejmech.2014.03.014 | ||
| 12686479 | 161234 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL414183 | 161234 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| 25129523 | 186694 | 40 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL492884 | 186694 | 40 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 25129527 | 186821 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL493720 | 186821 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 2 | 1 | 5 | 2.1 | CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 70681962 | 75317 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 2 | 2 | 2.3 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047467 | 75317 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 2 | 2 | 2.3 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCNCC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 70688339 | 75318 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 309 | 1 | 1 | 2 | 2.7 | CN1CCCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047468 | 75318 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 309 | 1 | 1 | 2 | 2.7 | CN1CCCN(C(=O)c2cc3cc(Cl)cc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm1013488 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm1013488 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm1013488 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm7014217 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm901379s | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm7014217 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm901379s | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm7014217 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm901379s | ||
| 24854635 | 95882 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 1 | 0 | 4 | 3.0 | Cc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| CHEMBL261519 | 95882 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 1 | 0 | 4 | 3.0 | Cc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
| 10085528 | 193514 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 7 | 3 | 3 | 2.8 | N=C(NCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL1202330 | 193514 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 7 | 3 | 3 | 2.8 | N=C(NCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL550570 | 193514 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 7 | 3 | 3 | 2.8 | N=C(NCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 10041484 | 193570 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 316 | 9 | 3 | 3 | 3.6 | N=C(NCCCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| CHEMBL551047 | 193570 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 316 | 9 | 3 | 3 | 3.6 | N=C(NCCCCc1ccccc1)SCCCc1c[nH]cn1 | 10.1016/j.bmc.2009.04.007 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 1252 | 1978 | 16 | None | -100 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 9793868 | 1978 | 16 | None | -100 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL417096 | 1978 | 16 | None | -100 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 71681641 | 89220 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 350 | 8 | 4 | 8 | 2.2 | CC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375764 | 89220 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 350 | 8 | 4 | 8 | 2.2 | CC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 11492189 | 75638 | 0 | None | -10 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 209 | 8 | 1 | 2 | 2.5 | CCN(CC)CCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL205511 | 75638 | 0 | None | -10 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 209 | 8 | 1 | 2 | 2.5 | CCN(CC)CCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 14712103 | 61541 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 5 | 2 | 2 | 1.7 | c1ccc(CNCCc2c[nH]cn2)cc1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL17740 | 61541 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 5 | 2 | 2 | 1.7 | c1ccc(CNCCc2c[nH]cn2)cc1 | 10.1016/j.bmcl.2011.06.123 | ||
| 12741697 | 95700 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 1 | 0 | 3 | 2.6 | CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL260565 | 95700 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 1 | 0 | 3 | 2.6 | CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| 9793921 | 64782 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 164 | 2 | 1 | 1 | 2.5 | c1nc(CC2CCCCC2)c[nH]1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL1824228 | 64782 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 164 | 2 | 1 | 1 | 2.5 | c1nc(CC2CCCCC2)c[nH]1 | 10.1016/j.bmcl.2011.06.123 | ||
| 24764570 | 75294 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 1.9 | CN[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047444 | 75294 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 1.9 | CN[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)C1 | 10.1016/j.ejmech.2012.06.016 | ||
| 25178938 | 186167 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 2 | 1 | 5 | 1.7 | CNc1nc(N2CCN(C)CC2)nc2cccc(C)c12 | 10.1021/jm901379s | ||
| CHEMBL488885 | 186167 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 2 | 1 | 5 | 1.7 | CNc1nc(N2CCN(C)CC2)nc2cccc(C)c12 | 10.1021/jm901379s | ||
| 933006 | 136037 | 9 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 2 | 1 | 5 | 1.9 | COc1ccc2c(c1)[nH]c1c(N3CCN(C)CC3)ncnc12 | 10.1039/C5MD00022J | ||
| CHEMBL3739430 | 136037 | 9 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 2 | 1 | 5 | 1.9 | COc1ccc2c(c1)[nH]c1c(N3CCN(C)CC3)ncnc12 | 10.1039/C5MD00022J | ||
| 10419556 | 5271 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106913 | 5271 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 168273549 | 192191 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174342 | 192191 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221438 | 192191 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 66572103 | 75268 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3cnccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047261 | 75268 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 244 | 1 | 1 | 3 | 1.0 | CN1CCN(C(=O)c2cc3cnccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 164627020 | 185816 | 0 | None | -144 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876025 | 185816 | 0 | None | -144 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10515993 | 5869 | 1 | None | -27 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 267 | 9 | 2 | 3 | 3.0 | CCCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1079918 | 5869 | 1 | None | -27 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 267 | 9 | 2 | 3 | 3.0 | CCCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL154944 | 5869 | 1 | None | -27 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 267 | 9 | 2 | 3 | 3.0 | CCCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 54587792 | 61210 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 2 | 2 | 6 | 0.2 | Nc1nc(N2CCCC2)cc(N2CC[C@@H](N)C2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770994 | 61210 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 2 | 2 | 6 | 0.2 | Nc1nc(N2CCCC2)cc(N2CC[C@@H](N)C2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 90645156 | 111678 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 313 | 3 | 1 | 7 | 0.9 | CN1CCN(c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290583 | 111678 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 313 | 3 | 1 | 7 | 0.9 | CN1CCN(c2nc(N)nc(-c3ccc(N(C)C)cc3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 763018 | 136198 | 10 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 1 | 0 | 6 | 1.3 | Cc1nnc2c(N3CCN(C)CC3)nc3ccccc3n12 | 10.1039/C5MD00022J | ||
| CHEMBL3740846 | 136198 | 10 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 1 | 0 | 6 | 1.3 | Cc1nnc2c(N3CCN(C)CC3)nc3ccccc3n12 | 10.1039/C5MD00022J | ||
| 44414498 | 79571 | 0 | None | -173 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 404 | 7 | 0 | 2 | 6.9 | CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1 | 10.1016/j.bmc.2008.10.029 | ||
| CHEMBL212775 | 79571 | 0 | None | -173 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 404 | 7 | 0 | 2 | 6.9 | CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1 | 10.1016/j.bmc.2008.10.029 | ||
| 44414433 | 138986 | 0 | None | -8 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 13 | 2 | 2 | 5.9 | CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1 | 10.1016/j.bmc.2008.10.029 | ||
| CHEMBL379545 | 138986 | 0 | None | -8 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 13 | 2 | 2 | 5.9 | CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1 | 10.1016/j.bmc.2008.10.029 | ||
| 10419556 | 5271 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106913 | 5271 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 164623155 | 184983 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 352 | 3 | 4 | 4 | 3.4 | N/C(=N\C(=O)Nc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863393 | 184983 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 352 | 3 | 4 | 4 | 3.4 | N/C(=N\C(=O)Nc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 57395260 | 69371 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 1 | 1 | 5 | 1.3 | Cc1ccc2nc(N)nc(N3CCN(C)CC3)c2c1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935563 | 69371 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 1 | 1 | 5 | 1.3 | Cc1ccc2nc(N)nc(N3CCN(C)CC3)c2c1 | 10.1016/j.bmcl.2011.10.104 | ||
| 11408069 | 83834 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 440 | 6 | 1 | 4 | 5.2 | CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL221211 | 83834 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 440 | 6 | 1 | 4 | 5.2 | CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.04.017 | ||
| 11408069 | 83834 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 440 | 6 | 1 | 4 | 5.2 | CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL221211 | 83834 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 440 | 6 | 1 | 4 | 5.2 | CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| 24825995 | 67788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914795 | 67788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 1267 | 3732 | 43 | None | -21 | 28 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -21 | 28 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -21 | 28 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 762810 | 198215 | 11 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 262 | 2 | 0 | 5 | 2.0 | CCc1cc2c(N3CCN(C)CC3)ncnc2s1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594730 | 198215 | 11 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 262 | 2 | 0 | 5 | 2.0 | CCc1cc2c(N3CCN(C)CC3)ncnc2s1 | 10.1016/j.bmc.2009.08.059 | ||
| 51354299 | 58565 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 247 | 8 | 1 | 4 | 2.4 | CCCCCc1cn(CCCc2c[nH]cn2)nn1 | 10.1021/jm1013488 | ||
| CHEMBL1688945 | 58565 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 247 | 8 | 1 | 4 | 2.4 | CCCCCc1cn(CCCc2c[nH]cn2)nn1 | 10.1021/jm1013488 | ||
| 136773074 | 156811 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 6 | 2 | 4 | 3.6 | COc1ccc(/C(=N/[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL4077914 | 156811 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 6 | 2 | 4 | 3.6 | COc1ccc(/C(=N/[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1 | 10.1016/j.ejmech.2016.09.074 | ||
| 57400473 | 69369 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 3 | 1 | 6 | 2.8 | CC(=O)c1cccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)c1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935561 | 69369 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 3 | 1 | 6 | 2.8 | CC(=O)c1cccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)c1 | 10.1016/j.bmcl.2011.10.104 | ||
| 57397301 | 67523 | 0 | None | -891 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 560 | 11 | 1 | 6 | 4.6 | COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910382 | 67523 | 0 | None | -891 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 560 | 11 | 1 | 6 | 4.6 | COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 127026018 | 136954 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)nc3c2-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753985 | 136954 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)nc3c2-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 73346048 | 91421 | 0 | None | -15 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 307 | 7 | 2 | 3 | 3.0 | O=C(NCCc1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL2413359 | 91421 | 0 | None | -15 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 307 | 7 | 2 | 3 | 3.0 | O=C(NCCc1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 164617783 | 183997 | 0 | None | -104 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848815 | 183997 | 0 | None | -104 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 71519499 | 86051 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 340 | 2 | 1 | 6 | 2.1 | CN1CCN(c2nc(N)nc3c2cc(-c2ccc(F)cc2)n3C)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314768 | 86051 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 340 | 2 | 1 | 6 | 2.1 | CN1CCN(c2nc(N)nc3c2cc(-c2ccc(F)cc2)n3C)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 54583872 | 61176 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 298 | 5 | 3 | 6 | 1.5 | CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770960 | 61176 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 298 | 5 | 3 | 6 | 1.5 | CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1021/acs.jmedchem.6b00120 | ||
| 58227388 | 116609 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 249 | 4 | 1 | 5 | 1.3 | CC(C)CNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393538 | 116609 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 249 | 4 | 1 | 5 | 1.3 | CC(C)CNc1nccc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2014.12.027 | ||
| 155517880 | 176083 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 155517880 | 176083 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4445423 | 176083 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598198 | 176083 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 4 | 4 | 5 | 1.0 | CC(C)(C)CNc1nccc(N2CC[C@@H](NC(=N)N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 46890626 | 6495 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@@H]3CCCN[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083097 | 6495 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 422 | 6 | 2 | 4 | 4.4 | Cc1cc(OCCCN2C[C@@H]3CCCN[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 25178938 | 186167 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 2 | 1 | 5 | 1.7 | CNc1nc(N2CCN(C)CC2)nc2cccc(C)c12 | 10.1021/jm800876b | ||
| CHEMBL488885 | 186167 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 2 | 1 | 5 | 1.7 | CNc1nc(N2CCN(C)CC2)nc2cccc(C)c12 | 10.1021/jm800876b | ||
| 9812843 | 203523 | 1 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1cncc(Cc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| CHEMBL78838 | 203523 | 1 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 159 | 2 | 1 | 2 | 1.4 | c1cncc(Cc2c[nH]cn2)c1 | 10.1021/jm049932u | ||
| 647957 | 28849 | 12 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 2 | 0 | 6 | 0.4 | Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1 | 10.1039/C5MD00022J | ||
| CHEMBL1381010 | 28849 | 12 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 2 | 0 | 6 | 0.4 | Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1 | 10.1039/C5MD00022J | ||
| 747187 | 136102 | 9 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 249 | 4 | 1 | 3 | 2.8 | Cc1cc2nc(SCCN(C)C)[nH]c2cc1C | 10.1039/C5MD00022J | ||
| CHEMBL3739949 | 136102 | 9 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 249 | 4 | 1 | 3 | 2.8 | Cc1cc2nc(SCCN(C)C)[nH]c2cc1C | 10.1039/C5MD00022J | ||
| 168268716 | 192150 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5170276 | 192150 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221176 | 192150 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268853 | 192173 | 0 | None | -83 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -83 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -83 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 5013 | 99760 | 28 | None | -16 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL288591 | 99760 | 28 | None | -16 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
| 10243990 | 5802 | 0 | None | -79 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.6 | CCCCC(C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1079552 | 5802 | 0 | None | -79 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.6 | CCCCC(C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL155830 | 5802 | 0 | None | -79 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 8 | 2 | 3 | 2.6 | CCCCC(C)NC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 11065080 | 19221 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129488 | 19221 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1007/s00044-004-0106-7 | ||
| 11065080 | 19221 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0341047 | ||
| CHEMBL129488 | 19221 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0341047 | ||
| 117724523 | 116600 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 248 | 6 | 2 | 4 | 2.1 | CCCCNc1cc(N2CC[C@@H](NC)C2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393529 | 116600 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 248 | 6 | 2 | 4 | 2.1 | CCCCNc1cc(N2CC[C@@H](NC)C2)ccn1 | 10.1016/j.bmcl.2014.12.027 | ||
| 11594278 | 14506 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 276 | 1 | 1 | 3 | 1.4 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| CHEMBL120591 | 14506 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 276 | 1 | 1 | 3 | 1.4 | Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 | 10.1021/jm0502081 | ||
| 11065080 | 19221 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| CHEMBL129488 | 19221 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 257 | 1 | 1 | 2 | 1.9 | Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 | 10.1021/jm0502081 | ||
| 44462956 | 5508 | 0 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 363 | 2 | 2 | 5 | 3.1 | Nc1nc2c(c(N3CC4CCCNC4C3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| CHEMBL1077276 | 5508 | 0 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 363 | 2 | 2 | 5 | 3.1 | Nc1nc2c(c(N3CC4CCCNC4C3)n1)CCCCC2c1ccccc1 | 10.1016/j.bmcl.2010.01.131 | ||
| 71603140 | 89275 | 0 | None | 97 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 3 | 2 | 5 | 1.5 | CNC1CN(c2nc(N)nc3cc(C4CC4)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376794 | 89275 | 0 | None | 97 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 3 | 2 | 5 | 1.5 | CNC1CN(c2nc(N)nc3cc(C4CC4)ccc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25147772 | 172827 | 4 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL452847 | 172827 | 4 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 25147772 | 172827 | 4 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL452847 | 172827 | 4 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.7 | CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 44129131 | 197763 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 2.1 | CCN(CC)S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL591500 | 197763 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 2.1 | CCN(CC)S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 25071319 | 188464 | 8 | None | 9 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL509540 | 188464 | 8 | None | 9 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 16082828 | 79835 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| CHEMBL213886 | 79835 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 275 | 6 | 2 | 2 | 3.3 | Clc1ccc(CNCC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 | 10.1021/jm0603318 | ||
| 57398091 | 67751 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 351 | 1 | 1 | 6 | 3.0 | CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914757 | 67751 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 351 | 1 | 1 | 6 | 3.0 | CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57401517 | 67768 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.7 | Nc1nc(N2CCNCC2)c2oc3ccc(Cl)c(Cl)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914774 | 67768 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 337 | 1 | 2 | 6 | 2.7 | Nc1nc(N2CCNCC2)c2oc3ccc(Cl)c(Cl)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 3035746 | 187587 | 6 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| CHEMBL1237146 | 187587 | 6 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| CHEMBL498770 | 187587 | 6 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 3.2 | N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
| 136030655 | 56173 | 0 | None | 2 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632413 | 56173 | 0 | None | 2 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 292 | 1 | 2 | 3 | 2.2 | CN1CCN(/C(=N\O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 136192874 | 56174 | 0 | None | 1 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632414 | 56174 | 0 | None | 1 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 292 | 2 | 2 | 4 | 2.7 | CN1CCC(/C(=N/O)c2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2004.08.035 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 53321919 | 56169 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 7 | 3 | 3 | 3.8 | N=C(NCc1ccc(Cl)cc1)SCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632409 | 56169 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 7 | 3 | 3 | 3.8 | N=C(NCc1ccc(Cl)cc1)SCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10060213 | 102425 | 1 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 240 | 6 | 3 | 2 | 2.0 | CC(C)/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL306077 | 102425 | 1 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 240 | 6 | 3 | 2 | 2.0 | CC(C)/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 155491015 | 175911 | 3 | None | -7 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4441731 | 175911 | 3 | None | -7 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| CHEMBL4596734 | 175911 | 3 | None | -7 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 207 | 4 | 2 | 5 | 0.2 | CCCNC1CN(c2ccnc(N)n2)C1 | 10.1021/acs.jmedchem.9b01462 | ||
| 44609412 | 89230 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 6 | 4 | 8 | 1.6 | Nc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375773 | 89230 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 6 | 4 | 8 | 1.6 | Nc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 25129523 | 186694 | 40 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm301886t | ||
| CHEMBL492884 | 186694 | 40 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 269 | 2 | 1 | 5 | 1.5 | CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 | 10.1021/jm301886t | ||
| 51354584 | 58577 | 0 | None | 11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 259 | 6 | 1 | 4 | 2.4 | c1nc(CCCn2cc(CC3CCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688976 | 58577 | 0 | None | 11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 259 | 6 | 1 | 4 | 2.4 | c1nc(CCCn2cc(CC3CCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 76314798 | 105559 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 3 | 1 | 7 | 1.4 | CN1CCN(c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL3133131 | 105559 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 3 | 1 | 7 | 1.4 | CN1CCN(c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)CC1 | 10.1039/C2MD20212C | ||
| 136042269 | 69556 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 323 | 1 | 2 | 3 | 1.8 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938978 | 69556 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 323 | 1 | 2 | 3 | 1.8 | CN1C[C@H]2CN(C(=N)c3nc4c(F)c(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 71525678 | 89281 | 0 | None | -7 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376800 | 89281 | 0 | None | -7 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25178937 | 186192 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| CHEMBL489062 | 186192 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| 25071319 | 188464 | 8 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL509540 | 188464 | 8 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 44129209 | 200335 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccc(I)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL608373 | 200335 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 3.5 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccc(I)cc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 11013044 | 18707 | 1 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 333 | 4 | 1 | 2 | 3.2 | O=C(c1cc2ccccc2[nH]1)N1CCN(CCc2ccccc2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL128470 | 18707 | 1 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 333 | 4 | 1 | 2 | 3.2 | O=C(c1cc2ccccc2[nH]1)N1CCN(CCc2ccccc2)CC1 | 10.1021/jm0341047 | ||
| 122194625 | 123490 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3629828 | 123490 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 310 | 3 | 1 | 6 | 1.7 | Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1 | 10.1016/j.ejmech.2015.08.014 | ||
| 52952957 | 62818 | 0 | None | -29 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCC/C=C/CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1774594 | 62818 | 0 | None | -29 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCC/C=C/CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| CHEMBL1789799 | 62818 | 0 | None | -29 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCC/C=C/CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmc.2011.03.046 | ||
| 24854703 | 166323 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 5 | 0 | 6 | 3.0 | COc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| CHEMBL428606 | 166323 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 364 | 5 | 0 | 6 | 3.0 | COc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1 | 10.1021/jm7014217 | ||
| 156013005 | 176915 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 899 | 20 | 2 | 7 | 10.6 | Cc1cc(OCCCNC(=O)CCCCCN2/C(=C\C=C\C=C\C3=[N+](CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)C(C)(C)c3ccccc32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4639472 | 176915 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 899 | 20 | 2 | 7 | 10.6 | Cc1cc(OCCCNC(=O)CCCCCN2/C(=C\C=C\C=C\C3=[N+](CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)C(C)(C)c3ccccc32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
| 168268827 | 192167 | 0 | None | -6 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5179906 | 192167 | 0 | None | -6 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221314 | 192167 | 0 | None | -6 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 52952957 | 62818 | 0 | None | -29 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCC/C=C/CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1774594 | 62818 | 0 | None | -29 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCC/C=C/CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| CHEMBL1789799 | 62818 | 0 | None | -29 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCC/C=C/CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2013.06.075 | ||
| 25071319 | 188464 | 8 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL509540 | 188464 | 8 | None | -9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1021/jm800670r | ||
| 46228101 | 198106 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL594022 | 198106 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 2.1 | CN1CCN(c2cc(NCc3ccc(Cl)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46228083 | 198049 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 5 | 2 | 6 | 3.1 | CN1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL593551 | 198049 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 5 | 2 | 6 | 3.1 | CN1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 46890549 | 6492 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 4.2 | Cc1cc(OCCCN2CCCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083085 | 6492 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 4.2 | Cc1cc(OCCCN2CCCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 112936352 | 136956 | 1 | None | -17 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 389 | 6 | 1 | 6 | 3.5 | COc1ccc(CNc2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3754008 | 136956 | 1 | None | -17 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 389 | 6 | 1 | 6 | 3.5 | COc1ccc(CNc2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1 | 10.1016/j.bmcl.2015.12.035 | ||
| 155563489 | 174747 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 250 | 3 | 1 | 6 | 0.7 | CCC(C)c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4573929 | 174747 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 250 | 3 | 1 | 6 | 0.7 | CCC(C)c1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 71518865 | 86021 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 1.8 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(C#N)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314494 | 86021 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 1.8 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(C#N)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 57401167 | 69511 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938846 | 69511 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 1 | 1 | 3 | 1.5 | CN1C[C@H]2CN(C(=O)c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 24826679 | 67745 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 1 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914751 | 67745 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 1 | 1 | 6 | 2.4 | CN1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)CC1 | 10.1016/j.bmcl.2011.08.014 | ||
| 168294161 | 192394 | 0 | None | -7 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204739 | 192394 | 0 | None | -7 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222742 | 192394 | 0 | None | -7 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294770 | 192408 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208327 | 192408 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222806 | 192408 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44450438 | 95662 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL260371 | 95662 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
| 71528209 | 86530 | 0 | None | -1148 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F | 10.1021/ml300383n | ||
| CHEMBL2323582 | 86530 | 0 | None | -1148 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F | 10.1021/ml300383n | ||
| 121238069 | 158568 | 0 | None | -79 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 3 | 1 | 6 | 0.8 | CN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1 | 10.1016/j.ejmech.2017.04.033 | ||
| CHEMBL4097856 | 158568 | 0 | None | -79 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 3 | 1 | 6 | 0.8 | CN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1 | 10.1016/j.ejmech.2017.04.033 | ||
| 24826268 | 67694 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 3 | 2 | 6 | 2.8 | CCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914544 | 67694 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 3 | 2 | 6 | 2.8 | CCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 56851443 | 71269 | 0 | None | -7 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 3 | 4.6 | c1ccc(CN/C(=N/C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1923024 | 71269 | 0 | None | -7 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 3 | 4.6 | c1ccc(CN/C(=N/C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| CHEMBL1963459 | 71269 | 0 | None | -7 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 3 | 4.6 | c1ccc(CN/C(=N/C2CCCCC2)SCCCc2c[nH]cn2)cc1 | 10.1021/jm201042n | ||
| 121238069 | 158568 | 0 | None | -79 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 3 | 1 | 6 | 0.8 | CN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL4097856 | 158568 | 0 | None | -79 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 3 | 1 | 6 | 0.8 | CN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1 | 10.1016/j.ejmech.2017.09.035 | ||
| 25178132 | 186346 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 2.9 | CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| CHEMBL490073 | 186346 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 2.9 | CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| 25178132 | 186346 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 2.9 | CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL490073 | 186346 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 2.9 | CC(C)Nc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 168283321 | 192283 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183015 | 192283 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222057 | 192283 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 24759622 | 169101 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL443764 | 169101 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 24759622 | 169101 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
| 24759622 | 169101 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL443764 | 169101 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL443764 | 169101 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 164622259 | 185138 | 0 | None | -7244 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865965 | 185138 | 0 | None | -7244 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 24826167 | 67789 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914796 | 67789 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 2 | 2 | 6 | 2.9 | CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 54581938 | 61188 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 261 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770972 | 61188 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 261 | 3 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2cc(N)nc(N3CCCC3)c2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 46890019 | 7216 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086085 | 7216 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2C3CN(C)CC32)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 24994945 | 109637 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 207 | 2 | 2 | 5 | 0.2 | CN[C@@H]1CCN(c2cc(C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236567 | 109637 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 207 | 2 | 2 | 5 | 0.2 | CN[C@@H]1CCN(c2cc(C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 10.1021/acs.jmedchem.0c00160 | ||
| 51354301 | 58569 | 0 | None | -10 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688969 | 58569 | 0 | None | -10 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.4 | c1nc(CCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 164609017 | 183833 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846201 | 183833 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168294166 | 192402 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209081 | 192402 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222775 | 192402 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294178 | 192423 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5205197 | 192423 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222887 | 192423 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 127026019 | 136922 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 378 | 2 | 0 | 6 | 1.7 | CN1CCN(c2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753705 | 136922 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 378 | 2 | 0 | 6 | 1.7 | CN1CCN(c2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 11546127 | 95027 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.3 | COc1ccc2c(c1)c(CC(=O)NCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| CHEMBL25725 | 95027 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.3 | COc1ccc2c(c1)c(CC(=O)NCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2016.09.074 | ||
| 10715823 | 5838 | 0 | None | -20 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 10 | 2 | 3 | 3.3 | CCCCC(CC)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| CHEMBL1079747 | 5838 | 0 | None | -20 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 10 | 2 | 3 | 3.3 | CCCCC(CC)CNC(=O)OCCCc1c[nH]cn1 | 10.1016/j.bmcl.2009.10.005 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1016/j.bmcl.2011.10.104 | ||
| 25071319 | 188464 | 8 | None | -9 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL509540 | 188464 | 8 | None | -9 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 1 | 2 | 5 | 1.6 | Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2 | 10.1016/j.bmcl.2011.06.123 | ||
| 25109291 | 190782 | 9 | None | -501 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL519240 | 190782 | 9 | None | -501 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1016/j.bmcl.2011.06.123 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 10.1016/j.bmcl.2004.08.035 | ||
| 1267 | 3732 | 43 | None | -21 | 28 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 3035905 | 3732 | 43 | None | -21 | 28 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL260374 | 3732 | 43 | None | -21 | 28 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/acs.jmedchem.0c00160 | ||
| 937120 | 174519 | 8 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 244 | 1 | 0 | 3 | 1.8 | CN1CCN(C(=O)c2cc3ccccc3o2)CC1 | 10.1016/j.bmc.2020.115924 | ||
| CHEMBL4568949 | 174519 | 8 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 244 | 1 | 0 | 3 | 1.8 | CN1CCN(C(=O)c2cc3ccccc3o2)CC1 | 10.1016/j.bmc.2020.115924 | ||
| 71681974 | 89205 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 6 | 3 | 8 | 1.6 | CN(CCNc1cc(-c2ccccc2)nc(N)n1)c1ccnc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375749 | 89205 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 6 | 3 | 8 | 1.6 | CN(CCNc1cc(-c2ccccc2)nc(N)n1)c1ccnc(N)n1 | 10.1021/jm301886t | ||
| 71681475 | 89211 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 8 | 5 | 9 | 1.0 | CC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| CHEMBL2375755 | 89211 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 8 | 5 | 9 | 1.0 | CC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1 | 10.1021/jm301886t | ||
| 71681643 | 89222 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 378 | 9 | 4 | 8 | 3.1 | CC(C)CNc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375766 | 89222 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 378 | 9 | 4 | 8 | 3.1 | CC(C)CNc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 | 10.1021/jm301886t | ||
| 71681645 | 89224 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 302 | 8 | 4 | 8 | 1.4 | CC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375768 | 89224 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 302 | 8 | 4 | 8 | 1.4 | CC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1 | 10.1021/jm301886t | ||
| 11679993 | 75649 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 195 | 7 | 2 | 2 | 2.0 | CC(C)CNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL205559 | 75649 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 195 | 7 | 2 | 2 | 2.0 | CC(C)CNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11087453 | 75277 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047270 | 75277 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66572113 | 75282 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3ccc(N)cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047275 | 75282 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3ccc(N)cc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 66573457 | 75296 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 283 | 2 | 1 | 2 | 2.4 | Cc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047446 | 75296 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 283 | 2 | 1 | 2 | 2.4 | Cc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)[nH]c12 | 10.1016/j.ejmech.2012.06.016 | ||
| 70688340 | 75326 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047476 | 75326 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 1.8 | CN1CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 51354875 | 58585 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 6 | 1 | 4 | 2.8 | c1nc(CCCc2cn(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688986 | 58585 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 6 | 1 | 4 | 2.8 | c1nc(CCCc2cn(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 25178937 | 186192 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL489062 | 186192 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 11846635 | 78255 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 0 | 0 | 4 | 3.4 | Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C)CC1)=N2 | 10.1021/jm051008s | ||
| CHEMBL211242 | 78255 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 0 | 0 | 4 | 3.4 | Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C)CC1)=N2 | 10.1021/jm051008s | ||
| 4060730 | 19168 | 51 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| CHEMBL129199 | 19168 | 51 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 243 | 1 | 1 | 2 | 1.6 | CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 | 10.1039/C2MD20212C | ||
| 90645159 | 111681 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290586 | 111681 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 2 | 1 | 6 | 2.2 | CN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2014.06.032 | ||
| 162671115 | 182355 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 2 | 0 | 3 | 1.9 | CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1 | 10.1016/j.bmc.2020.115924 | ||
| CHEMBL4792753 | 182355 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 266 | 2 | 0 | 3 | 1.9 | CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1 | 10.1016/j.bmc.2020.115924 | ||
| 10197870 | 5214 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL106612 | 5214 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 91613 | 17789 | 31 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1ncc(CCN)[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12620 | 17789 | 31 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1ncc(CCN)[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 71681474 | 89210 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 5 | 4 | 8 | -0.0 | Nc1nccc(NCCNc2ccnc(N)n2)n1 | 10.1021/jm301886t | ||
| CHEMBL2375754 | 89210 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 5 | 4 | 8 | -0.0 | Nc1nccc(NCCNc2ccnc(N)n2)n1 | 10.1021/jm301886t | ||
| 11637064 | 74590 | 0 | None | -25 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 207 | 6 | 1 | 2 | 2.2 | c1nc(CCCCCN2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| CHEMBL203228 | 74590 | 0 | None | -25 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 207 | 6 | 1 | 2 | 2.2 | c1nc(CCCCCN2CCCC2)c[nH]1 | 10.1021/jm0504353 | ||
| 11708125 | 76151 | 3 | None | -251 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 5 | 1 | 2 | 1.3 | CN(C)CCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL206000 | 76151 | 3 | None | -251 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 5 | 1 | 2 | 1.3 | CN(C)CCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 11499376 | 137961 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 5 | 2 | 2 | 2.1 | CC(C)(C)NCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| CHEMBL377491 | 137961 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 5 | 2 | 2 | 2.1 | CC(C)(C)NCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
| 56672434 | 64778 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.3 | CN1CCC(=Cc2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| CHEMBL1824048 | 64778 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.3 | CN1CCC(=Cc2nc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.bmcl.2011.06.123 | ||
| 66572109 | 75274 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3c([N+](=O)[O-])cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047267 | 75274 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3c([N+](=O)[O-])cccc3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 10957150 | 75291 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| CHEMBL2047441 | 75291 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 2 | 1 | 4 | 1.5 | CN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2012.06.016 | ||
| 3939214 | 126111 | 7 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 262 | 1 | 1 | 1 | 3.4 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1 | 10.1016/j.bmcl.2004.08.035 | ||
| CHEMBL365257 | 126111 | 7 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 262 | 1 | 1 | 1 | 3.4 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1 | 10.1016/j.bmcl.2004.08.035 | ||
| 11086114 | 7298 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL108649 | 7298 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1016/j.bmcl.2010.10.041 | ||
| 2247 | 502 | 77 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | ||
| 249 | 502 | 77 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | ||
| 2603 | 502 | 77 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL296419 | 502 | 77 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | ||
| DB00637 | 502 | 77 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | ||
| 44417471 | 12647 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 175 | 4 | 5 | 3 | -0.5 | N=C(N)NCCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL1187948 | 12647 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 175 | 4 | 5 | 3 | -0.5 | N=C(N)NCCCSC(=N)N | 10.1021/jm060880d | ||
| CHEMBL534496 | 12647 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 175 | 4 | 5 | 3 | -0.5 | N=C(N)NCCCSC(=N)N | 10.1021/jm060880d | ||
| 164614841 | 184682 | 0 | None | -223 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858849 | 184682 | 0 | None | -223 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 9923162 | 18736 | 5 | None | 199 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL128613 | 18736 | 5 | None | 199 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 10967174 | 19227 | 3 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| CHEMBL129540 | 19227 | 3 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1007/s00044-004-0106-7 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 9923162 | 18736 | 5 | None | 199 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL128613 | 18736 | 5 | None | 199 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 10967174 | 19227 | 3 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| CHEMBL129540 | 19227 | 3 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0341047 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.125 | ||
| 54580746 | 61047 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 248 | 2 | 2 | 6 | 0.1 | Nc1nc(N2CCCC2)cc(N2CCNCC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770160 | 61047 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 248 | 2 | 2 | 6 | 0.1 | Nc1nc(N2CCCC2)cc(N2CCNCC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.07.114 | ||
| 58227157 | 115404 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3354815 | 115404 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 235 | 4 | 2 | 5 | 1.1 | CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227179 | 116619 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393548 | 116619 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 58227259 | 116627 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393556 | 116627 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.9 | CN[C@@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 10.1016/j.bmcl.2011.11.098 | ||
| 42624150 | 109647 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 249 | 2 | 2 | 5 | 1.2 | CN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| CHEMBL3236577 | 109647 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 249 | 2 | 2 | 5 | 1.2 | CN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1 | 10.1021/jm401727m | ||
| 24827129 | 67778 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 351 | 2 | 2 | 6 | 3.1 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2c(Cl)cc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914785 | 67778 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 351 | 2 | 2 | 6 | 3.1 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2c(Cl)cc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 9923162 | 18736 | 5 | None | 199 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL128613 | 18736 | 5 | None | 199 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 321 | 1 | 1 | 2 | 2.3 | CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 10967174 | 19227 | 3 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL129540 | 19227 | 3 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 258 | 1 | 2 | 3 | 1.1 | CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 44129212 | 197762 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.3 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3c(C(F)(F)F)cccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591496 | 197762 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 494 | 7 | 2 | 7 | 3.3 | CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3c(C(F)(F)F)cccc3n2)CC1 | 10.1021/jm901379s | ||
| 24825522 | 187050 | 0 | None | -6 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 283 | 3 | 1 | 3 | 3.3 | CC1CC(C)(C)N=C(c2cccc(Cc3c[nH]cn3)c2)O1 | 10.1021/jm7014149 | ||
| CHEMBL494982 | 187050 | 0 | None | -6 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 283 | 3 | 1 | 3 | 3.3 | CC1CC(C)(C)N=C(c2cccc(Cc3c[nH]cn3)c2)O1 | 10.1021/jm7014149 | ||
| 51354300 | 58566 | 0 | None | 15 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 273 | 6 | 1 | 4 | 2.8 | c1nc(CCCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688946 | 58566 | 0 | None | 15 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 273 | 6 | 1 | 4 | 2.8 | c1nc(CCCn2cc(CC3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 58227373 | 175924 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4455324 | 175924 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4596881 | 175924 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 249 | 3 | 2 | 5 | 1.5 | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| 168294182 | 192436 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208722 | 192436 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222960 | 192436 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46890546 | 6422 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 382 | 6 | 2 | 4 | 3.8 | Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1082771 | 6422 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 382 | 6 | 2 | 4 | 3.8 | Cc1cc(OCCCN2CCC(N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46228069 | 198456 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 323 | 3 | 1 | 7 | 1.2 | CN1CCN(c2nc(N)nc3c2ncn3Cc2ccccc2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL596348 | 198456 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 323 | 3 | 1 | 7 | 1.2 | CN1CCN(c2nc(N)nc3c2ncn3Cc2ccccc2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 63868172 | 175472 | 2 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 1 | 6 | -0.2 | CCc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| CHEMBL4590628 | 175472 | 2 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 1 | 6 | -0.2 | CCc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.bmc.2019.02.020 | ||
| 164614549 | 184350 | 0 | None | -575 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184350 | 0 | None | -575 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 164621681 | 184988 | 0 | None | -64 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863523 | 184988 | 0 | None | -64 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164627241 | 185837 | 0 | None | -269 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876267 | 185837 | 0 | None | -269 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 11086114 | 7298 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL108649 | 7298 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 3 | 3 | 4 | 0.3 | C/N=C(\NC#N)NC[C@H]1CC[C@@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 71519347 | 86048 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 4 | 2 | 6 | 1.2 | CCCCn1ccc2c(N3CCNCC3)nc(N)nc21 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314765 | 86048 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 4 | 2 | 6 | 1.2 | CCCCn1ccc2c(N3CCNCC3)nc(N)nc21 | 10.1016/j.bmcl.2012.10.139 | ||
| 54754351 | 67860 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915535 | 67860 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.125 | ||
| 54754351 | 67860 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915535 | 67860 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 58227242 | 116623 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 3 | 1 | 5 | 1.6 | CN1CCN(c2cnnc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393552 | 116623 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 3 | 1 | 5 | 1.6 | CN1CCN(c2cnnc(NC3CCCC3)c2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 121238067 | 166547 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 250 | 3 | 1 | 6 | 0.4 | CC(C)Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2017.09.035 | ||
| CHEMBL4290148 | 166547 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 250 | 3 | 1 | 6 | 0.4 | CC(C)Cc1nc(N)nc(N2CCN(C)CC2)n1 | 10.1016/j.ejmech.2017.09.035 | ||
| 57400778 | 67853 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915346 | 67853 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 54584827 | 61212 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770996 | 61212 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 3 | 2 | 6 | 0.5 | CN[C@H]1CCN(c2cc(N3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 57400778 | 67853 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915346 | 67853 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 1 | 1 | 3 | 1.3 | CN1C[C@H]2CN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 57400589 | 69550 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)cnc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938972 | 69550 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 1 | 1 | 3 | 1.9 | CN1C[C@H]2CN(C(=O)c3cc4cc(Cl)cnc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 90645164 | 111686 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 298 | 2 | 1 | 6 | 1.5 | Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1C | 10.1016/j.ejmech.2014.06.032 | ||
| CHEMBL3290591 | 111686 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 298 | 2 | 1 | 6 | 1.5 | Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1C | 10.1016/j.ejmech.2014.06.032 | ||
| 57399016 | 67819 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 1 | 2 | 6 | 2.6 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915040 | 67819 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 1 | 2 | 6 | 2.6 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46890548 | 6491 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.4 | Cc1cc(OCCCN2CCC(N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1083084 | 6491 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.4 | Cc1cc(OCCCN2CCC(N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 46929551 | 16550 | 0 | None | -52 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 5 | 1 | 3 | 5.0 | CC(C)(C)c1ccc(SCC(c2ccccn2)c2c[nH]cn2)cc1 | 10.1021/jm100643t | ||
| CHEMBL1243335 | 16550 | 0 | None | -52 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 5 | 1 | 3 | 5.0 | CC(C)(C)c1ccc(SCC(c2ccccn2)c2c[nH]cn2)cc1 | 10.1021/jm100643t | ||
| 5159263 | 10270 | 11 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 259 | 4 | 3 | 4 | 0.8 | Cc1cc(C)nc(N/C(N)=N/CCc2c[nH]cn2)n1 | 10.1021/jm7014777 | ||
| CHEMBL1162351 | 10270 | 11 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 259 | 4 | 3 | 4 | 0.8 | Cc1cc(C)nc(N/C(N)=N/CCc2c[nH]cn2)n1 | 10.1021/jm7014777 | ||
| 71525679 | 89282 | 0 | None | -6 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376801 | 89282 | 0 | None | -6 | 6 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25178130 | 189143 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 3.1 | CN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL515870 | 189143 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 3.1 | CN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm800876b | ||
| 25178130 | 189143 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 3.1 | CN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL515870 | 189143 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 319 | 3 | 1 | 5 | 3.1 | CN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1021/jm901379s | ||
| 164622153 | 184976 | 0 | None | -181 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863347 | 184976 | 0 | None | -181 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 54581939 | 61200 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 3 | 1 | 6 | 0.7 | CC(C)N(C)c1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770984 | 61200 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 264 | 3 | 1 | 6 | 0.7 | CC(C)N(C)c1nc(N)cc(N2CCN(C)CC2)n1 | 10.1016/j.bmcl.2011.03.017 | ||
| 122193095 | 123383 | 0 | None | -3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628042 | 123383 | 0 | None | -3 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 330 | 3 | 1 | 6 | 2.0 | CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 58227260 | 116617 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 287 | 3 | 1 | 5 | 1.8 | CN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393546 | 116617 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 287 | 3 | 1 | 5 | 1.8 | CN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1 | 10.1016/j.bmcl.2014.12.027 | ||
| 57398176 | 67971 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 273 | 2 | 0 | 5 | 1.4 | CN1CCN(c2cc(N3[C@@H]4CCC[C@@H]3C4)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916503 | 67971 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 273 | 2 | 0 | 5 | 1.4 | CN1CCN(c2cc(N3[C@@H]4CCC[C@@H]3C4)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 127050776 | 139704 | 0 | None | 6 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805437 | 139704 | 0 | None | 6 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 164627189 | 185729 | 0 | None | -831 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874758 | 185729 | 0 | None | -831 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 71519015 | 86027 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 246 | 1 | 2 | 5 | 0.7 | CN1CCCN(c2nc(N)nc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314500 | 86027 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 246 | 1 | 2 | 5 | 0.7 | CN1CCCN(c2nc(N)nc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 57400737 | 67821 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 1 | 2 | 6 | 2.6 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Cl)ccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915042 | 67821 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 1 | 2 | 6 | 2.6 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Cl)ccc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57395494 | 67815 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 1 | 2 | 6 | 2.5 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(C(F)(F)F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915032 | 67815 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 349 | 1 | 2 | 6 | 2.5 | Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(C(F)(F)F)c3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 57395499 | 67824 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 2 | 7 | 1.8 | C[C@H]1CN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CCN1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915046 | 67824 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 318 | 1 | 2 | 7 | 1.8 | C[C@H]1CN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CCN1 | 10.1016/j.bmcl.2011.08.014 | ||
| 46890677 | 7195 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2CC3C(C2)N3C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086038 | 7195 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.8 | Cc1cc(OCCCN2CC3C(C2)N3C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 56851612 | 71242 | 0 | None | -19 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 9 | 2 | 3 | 5.3 | CCCCN/C(=N/Cc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1923032 | 71242 | 0 | None | -19 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 9 | 2 | 3 | 5.3 | CCCCN/C(=N/Cc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1963245 | 71242 | 0 | None | -19 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 9 | 2 | 3 | 5.3 | CCCCN/C(=N/Cc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| 56851602 | 71244 | 0 | None | -18 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 9 | 2 | 3 | 4.7 | CCCCN/C(=N/Cc1ccc(Cl)cc1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1923027 | 71244 | 0 | None | -18 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 9 | 2 | 3 | 4.7 | CCCCN/C(=N/Cc1ccc(Cl)cc1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| CHEMBL1963260 | 71244 | 0 | None | -18 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 9 | 2 | 3 | 4.7 | CCCCN/C(=N/Cc1ccc(Cl)cc1)SCCCc1c[nH]cn1 | 10.1021/jm201042n | ||
| 25178345 | 172864 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| CHEMBL452925 | 172864 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccco3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm800876b | ||
| 51354303 | 58572 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.7 | c1nc(CCCn2cc(C3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| CHEMBL1688971 | 58572 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 259 | 5 | 1 | 4 | 2.7 | c1nc(CCCn2cc(C3CCCCC3)nn2)c[nH]1 | 10.1021/jm1013488 | ||
| 25147771 | 173656 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL454890 | 173656 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.2 | CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 10656971 | 16229 | 4 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL123137 | 16229 | 4 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
| 25179123 | 188501 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 363 | 5 | 1 | 7 | 2.0 | CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| CHEMBL510181 | 188501 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 363 | 5 | 1 | 7 | 2.0 | CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm901379s | ||
| 10197870 | 5214 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| CHEMBL106612 | 5214 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 2 | 3 | 0.6 | NC[C@H]1CC[C@H](c2c[nH]cn2)O1 | 10.1021/jm0300025 | ||
| 168273471 | 192189 | 0 | None | -50 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173079 | 192189 | 0 | None | -50 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221433 | 192189 | 0 | None | -50 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 57402472 | 67522 | 0 | None | -1819 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 526 | 11 | 1 | 6 | 4.0 | COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| CHEMBL1910381 | 67522 | 0 | None | -1819 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 526 | 11 | 1 | 6 | 4.0 | COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1 | 10.1016/j.bmcl.2011.09.001 | ||
| 44576985 | 10269 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 4 | 7 | 4 | -1.3 | CC(/C=C(\C)NNC(=N)N)=N/NC(=N)N | 10.1021/jm7014777 | ||
| CHEMBL1162347 | 10269 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 4 | 7 | 4 | -1.3 | CC(/C=C(\C)NNC(=N)N)=N/NC(=N)N | 10.1021/jm7014777 | ||
| 71519010 | 86022 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 386 | 2 | 2 | 5 | 2.7 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Br)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314495 | 86022 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 386 | 2 | 2 | 5 | 2.7 | CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Br)cc4)cc23)CC1 | 10.1016/j.bmcl.2012.10.139 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2011.10.104 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2011.10.104 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2011.10.104 | ||
| 54587790 | 61196 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| CHEMBL1770980 | 61196 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 276 | 4 | 3 | 6 | 1.2 | CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1 | 10.1016/j.bmcl.2011.03.017 | ||
| 54753437 | 67826 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL1915048 | 67826 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 11750684 | 83033 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 4.9 | Cc1ccc2[nH]c(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)nc2c1C | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL219982 | 83033 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 4.9 | Cc1ccc2[nH]c(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)nc2c1C | 10.1016/j.bmcl.2006.08.117 | ||
| 54753437 | 67826 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1021/jm401727m | ||
| CHEMBL1915048 | 67826 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1021/jm401727m | ||
| 24825794 | 67699 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 317 | 1 | 2 | 6 | 2.5 | Nc1nc(N2CCC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1914549 | 67699 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 317 | 1 | 2 | 6 | 2.5 | Nc1nc(N2CCC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1 | 10.1016/j.bmcl.2011.08.014 | ||
| 71525679 | 89282 | 0 | None | 6 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376801 | 89282 | 0 | None | 6 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 25071940 | 186761 | 0 | None | 5 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 1 | 2 | 5 | 1.2 | Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2 | 10.1021/jm800670r | ||
| CHEMBL493281 | 186761 | 0 | None | 5 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 1 | 2 | 5 | 1.2 | Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2 | 10.1021/jm800670r | ||
| 71525586 | 89280 | 0 | None | 22 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 2 | 1 | 6 | 0.9 | CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376799 | 89280 | 0 | None | 22 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 2 | 1 | 6 | 0.9 | CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 44129135 | 197739 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 454 | 6 | 1 | 8 | 1.1 | CN1CCN(c2nc(NCCS(=O)(=O)N3CCOCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| CHEMBL591250 | 197739 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 454 | 6 | 1 | 8 | 1.1 | CN1CCN(c2nc(NCCS(=O)(=O)N3CCOCC3)c3cc(Cl)ccc3n2)CC1 | 10.1021/jm901379s | ||
| 53378711 | 109648 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 235 | 1 | 2 | 5 | 0.9 | CC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| CHEMBL3236578 | 109648 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 235 | 1 | 2 | 5 | 0.9 | CC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1 | 10.1021/jm401727m | ||
| 54753437 | 67826 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| CHEMBL1915048 | 67826 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 2 | 2 | 7 | 1.8 | CN[C@@H]1CCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)C1 | 10.1016/j.bmcl.2011.08.014 | ||
| 135525668 | 67855 | 0 | None | 263 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1915348 | 67855 | 0 | None | 263 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 305 | 1 | 2 | 3 | 1.7 | CN1C[C@H]2CN(C(=N)c3nc4cc(F)c(F)cc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 49841611 | 69375 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 347 | 2 | 1 | 5 | 3.2 | Cc1cccc(C)c1-c1ccc2c(N3CCN(C)CC3)nc(N)nc2c1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935567 | 69375 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 347 | 2 | 1 | 5 | 3.2 | Cc1cccc(C)c1-c1ccc2c(N3CCN(C)CC3)nc(N)nc2c1 | 10.1016/j.bmcl.2011.10.104 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
| 11615753 | 72578 | 6 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 1 | 1 | 3 | 1.6 | CN1CCN(C(=O)c2cc3sccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL200546 | 72578 | 6 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 1 | 1 | 3 | 1.6 | CN1CCN(C(=O)c2cc3sccc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 10444761 | 123307 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 1 | 1 | 3 | 1.6 | CN1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| CHEMBL362495 | 123307 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 249 | 1 | 1 | 3 | 1.6 | CN1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 | 10.1021/jm0502081 | ||
| 16082826 | 79888 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 233 | 5 | 2 | 2 | 2.7 | c1nc([C@H]2C[C@@H]2CNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL214156 | 79888 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 233 | 5 | 2 | 2 | 2.7 | c1nc([C@H]2C[C@@H]2CNCC2CCCCC2)c[nH]1 | 10.1021/jm0603318 | ||
| 122193097 | 123385 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 364 | 3 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)cc3Cl)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| CHEMBL3628044 | 123385 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 364 | 3 | 1 | 6 | 2.7 | CN1CCN(c2nc(N)nc(/C=C/c3ccc(Cl)cc3Cl)n2)CC1 | 10.1016/j.ejmech.2015.08.014 | ||
| 57390344 | 67864 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 5 | 3 | 6 | 0.3 | CNC1CN(c2cc(N)nc(NCC3CC3)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| CHEMBL1915539 | 67864 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 5 | 3 | 6 | 0.3 | CNC1CN(c2cc(N)nc(NCC3CC3)n2)C1 | 10.1016/j.bmcl.2011.07.125 | ||
| 49841607 | 69363 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 257 | 1 | 1 | 5 | 1.3 | Cc1cccc2c(N3CCN(C)CC3)nc(N)nc12 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935555 | 69363 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 257 | 1 | 1 | 5 | 1.3 | Cc1cccc2c(N3CCN(C)CC3)nc(N)nc12 | 10.1016/j.bmcl.2011.10.104 | ||
| 12686451 | 202342 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL1743969 | 202342 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1 | 10.1021/jm7014217 | ||
| CHEMBL6992 | 202342 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1 | 10.1021/jm7014217 | ||
| 51354010 | 58561 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 281 | 7 | 1 | 4 | 2.6 | c1ccc(Cc2cn(CCCCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| CHEMBL1688941 | 58561 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 281 | 7 | 1 | 4 | 2.6 | c1ccc(Cc2cn(CCCCc3c[nH]cn3)nn2)cc1 | 10.1021/jm1013488 | ||
| 127036979 | 136950 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3753962 | 136950 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 118720434 | 115398 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 241 | 3 | 2 | 5 | 0.6 | CN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| CHEMBL3354808 | 115398 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 241 | 3 | 2 | 5 | 0.6 | CN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1 | 10.1016/j.bmcl.2014.10.013 | ||
| 11212855 | 83801 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 440 | 6 | 1 | 4 | 5.2 | CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| CHEMBL220934 | 83801 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 440 | 6 | 1 | 4 | 5.2 | CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.08.117 | ||
| 57401602 | 67972 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.3 | Cc1ccc(C#N)c(N2CC3CN(C)CC3C2)n1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916504 | 67972 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.3 | Cc1ccc(C#N)c(N2CC3CN(C)CC3C2)n1 | 10.1016/j.bmcl.2011.07.114 | ||
| 156010537 | 177724 | 0 | None | -69 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 11 | 2 | 3 | 4.3 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCNCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4634235 | 177724 | 0 | None | -69 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 11 | 2 | 3 | 4.3 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCNCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4651053 | 177724 | 0 | None | -69 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 11 | 2 | 3 | 4.3 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCNCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 90654503 | 109810 | 0 | None | -123 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 483 | 9 | 1 | 4 | 4.9 | O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.ejmech.2014.03.014 | ||
| CHEMBL3238447 | 109810 | 0 | None | -123 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 483 | 9 | 1 | 4 | 4.9 | O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.ejmech.2014.03.014 | ||
| 57394626 | 67961 | 0 | None | 14 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1916494 | 67961 | 0 | None | 14 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 49841723 | 69368 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 349 | 3 | 1 | 6 | 2.6 | COc1ccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)cc1 | 10.1016/j.bmcl.2011.10.104 | ||
| CHEMBL1935560 | 69368 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 349 | 3 | 1 | 6 | 2.6 | COc1ccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)cc1 | 10.1016/j.bmcl.2011.10.104 | ||
| 112936251 | 136729 | 1 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752085 | 136729 | 1 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 25178340 | 186193 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12 | 10.1021/jm800876b | ||
| CHEMBL489069 | 186193 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12 | 10.1021/jm800876b | ||
| 25179123 | 188501 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 5 | 1 | 7 | 2.0 | CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| CHEMBL510181 | 188501 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 5 | 1 | 7 | 2.0 | CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 | 10.1021/jm800876b | ||
| 25178340 | 186193 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12 | 10.1021/jm901379s | ||
| CHEMBL489069 | 186193 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 2 | 1 | 5 | 2.1 | CNc1nc(N2CCN(C)CC2)nc2cc(Cl)ccc12 | 10.1021/jm901379s | ||
| 164618690 | 185564 | 0 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4872375 | 185564 | 0 | None | -13 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 44547126 | 116598 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 248 | 5 | 2 | 4 | 1.9 | CN[C@H]1CCN(c2ccnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393527 | 116598 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 248 | 5 | 2 | 4 | 1.9 | CN[C@H]1CCN(c2ccnc(NCC(C)C)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 118725540 | 116595 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 260 | 3 | 1 | 4 | 1.9 | CN[C@@H]1CCN(c2ccnc(N3CCCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| CHEMBL3393524 | 116595 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 260 | 3 | 1 | 4 | 1.9 | CN[C@@H]1CCN(c2ccnc(N3CCCCC3)c2)C1 | 10.1016/j.bmcl.2014.12.027 | ||
| 46890676 | 7148 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 408 | 6 | 1 | 4 | 4.0 | Cc1cc(OCCCN2CC3CN(C)C3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1085804 | 7148 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 408 | 6 | 1 | 4 | 4.0 | Cc1cc(OCCCN2CC3CN(C)C3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 57393651 | 69549 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 270 | 1 | 1 | 3 | 1.2 | CN1C[C@H]2CN(C(=O)c3cc4cccnc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| CHEMBL1938971 | 69549 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 270 | 1 | 1 | 3 | 1.2 | CN1C[C@H]2CN(C(=O)c3cc4cccnc4[nH]3)C[C@H]2C1 | 10.1016/j.bmcl.2011.11.098 | ||
| 24853666 | 155565 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 292 | 1 | 1 | 4 | 1.7 | CN1CCCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1 | 10.1021/jm7014217 | ||
| CHEMBL406327 | 155565 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 292 | 1 | 1 | 4 | 1.7 | CN1CCCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1 | 10.1021/jm7014217 | ||
| 112936267 | 136758 | 1 | None | -2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 6 | 1 | 5 | 3.6 | CN1CCN(c2cc(-c3ccccc3)nc(NCCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752383 | 136758 | 1 | None | -2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 6 | 1 | 5 | 3.6 | CN1CCN(c2cc(-c3ccccc3)nc(NCCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 127051301 | 139657 | 0 | None | 5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3804906 | 139657 | 0 | None | 5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 246 | 3 | 3 | 3 | 0.9 | CN/C(=N\C#N)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 25130914 | 186661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| CHEMBL492677 | 186661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 4 | 2 | 6 | 1.4 | CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1 | 10.1016/j.bmc.2009.08.059 | ||
| 71519178 | 86044 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 312 | 2 | 3 | 5 | 1.9 | Nc1nc(N2CC[C@H](N)C2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| CHEMBL2314761 | 86044 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 312 | 2 | 3 | 5 | 1.9 | Nc1nc(N2CC[C@H](N)C2)c2cc(-c3ccc(F)cc3)[nH]c2n1 | 10.1016/j.bmcl.2012.10.139 | ||
| 127052293 | 139695 | 1 | None | 34 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | 34 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 1530 | 2142 | 44 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2142 | 44 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2142 | 44 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2142 | 44 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2142 | 44 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 124087 | 1357 | 106 | None | -5888 | 15 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 7157 | 1357 | 106 | None | -5888 | 15 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 814 | 1357 | 106 | None | -5888 | 15 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| CHEMBL1172 | 1357 | 106 | None | -5888 | 15 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| DB00967 | 1357 | 106 | None | -5888 | 15 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 71548412 | 1870 | 14 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | Guide to Pharmacology | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 29579390 | ||
| 9879 | 1870 | 14 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | Guide to Pharmacology | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 29579390 | ||
| CHEMBL4790724 | 1870 | 14 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | Guide to Pharmacology | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 29579390 | ||
| 71548412 | 1870 | 14 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | Guide to Pharmacology | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 29579390 | ||
| 9879 | 1870 | 14 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | Guide to Pharmacology | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 29579390 | ||
| CHEMBL4790724 | 1870 | 14 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | Guide to Pharmacology | 334 | 2 | 1 | 8 | 0.2 | CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br | 29579390 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 7.2 | pKd | None | 7.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 7.2 | pKd | None | 7.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 7.2 | pKd | None | 7.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 7.2 | pKd | None | 7.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1241 | 1998 | 46 | None | -89 | 5 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| 1242 | 1998 | 46 | None | -89 | 5 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| 3614 | 1998 | 46 | None | -89 | 5 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| CHEMBL507 | 1998 | 46 | None | -89 | 5 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| None | 214362 | 0 | 3H-Histamine | 4 | 7 | Guinea pig | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| None | 214362 | 0 | 3H-Histamine | 4 | 7 | Guinea pig | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
| 179 | 396 | 107 | 3H-Histamine | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 3H-Histamine | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 3H-Histamine | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 3H-Histamine | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 3H-Histamine | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 242 | 467 | 117 | 3H-Histamine | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-Histamine | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-Histamine | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-Histamine | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-Histamine | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 1231 | 922 | 112 | 3H-Histamine | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 1231 | 922 | 112 | 3H-PYRILAMINE | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | 3H-Histamine | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | 3H-PYRILAMINE | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | 3H-Histamine | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | 3H-PYRILAMINE | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | 3H-Histamine | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | 3H-PYRILAMINE | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | 3H-Histamine | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | 3H-PYRILAMINE | -81 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 277 | 1269 | 55 | 3H-Histamine | -301 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | 3H-Histamine | -301 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | 3H-Histamine | -301 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | 3H-Histamine | -301 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | 3H-Histamine | -301 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1248 | 1391 | 27 | 3H-PYRILAMINE | -15 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 3077 | 1391 | 27 | 3H-PYRILAMINE | -15 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 90045 | 1391 | 27 | 3H-PYRILAMINE | -15 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| CHEMBL12344 | 1391 | 27 | 3H-PYRILAMINE | -15 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 1224 | 1399 | 79 | 3H-Histamine | -194 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1399 | 79 | 3H-Histamine | -194 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1399 | 79 | 3H-Histamine | -194 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1399 | 79 | 3H-Histamine | -194 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1399 | 79 | 3H-Histamine | -194 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1399 | 79 | 3H-Histamine | -194 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 1212 | 1624 | 45 | 3H-Histamine | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | 3H-Histamine | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | 3H-Histamine | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | 3H-Histamine | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | 3H-Histamine | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 1353 | 1872 | 85 | 3H-Histamine | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-Histamine | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-Histamine | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-Histamine | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-Histamine | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 135398745 | 2858 | 108 | 3H-Histamine | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-Histamine | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-Histamine | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-Histamine | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 119570 | 3098 | 90 | 3H-Histamine | -301 | 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-Histamine | -301 | 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-Histamine | -301 | 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-Histamine | -301 | 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-Histamine | -301 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2337 | 3193 | 72 | 3H-Histamine | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-Histamine | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-Histamine | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-Histamine | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-Histamine | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1234 | 3227 | 0 | 3H-Histamine | -190 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | 3H-Histamine | -190 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | 3H-Histamine | -190 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | 3H-Histamine | -190 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 2389 | 3267 | 114 | 3H-Histamine | -32359 | 68 | Human | 5.0 | pKi | = | 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-Histamine | -32359 | 68 | Human | 5.0 | pKi | = | 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-Histamine | -32359 | 68 | Human | 5.0 | pKi | = | 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-Histamine | -32359 | 68 | Human | 5.0 | pKi | = | 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-Histamine | -32359 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 6917970 | 3622 | 54 | 3H-Histamine | -2290 | 34 | Human | 5.0 | pKi | = | 5 | 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-Histamine | -2290 | 34 | Human | 5.0 | pKi | = | 5 | 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-Histamine | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 213 | 3780 | 50 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 185 | 3931 | 54 | 3H-Histamine | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3931 | 54 | 3H-Histamine | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3931 | 54 | 3H-Histamine | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3931 | 54 | 3H-Histamine | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 2865 | 4064 | 67 | 3H-Histamine | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-Histamine | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-Histamine | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-Histamine | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-Histamine | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 10297 | 26890 | 29 | 3H-Histamine | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 26890 | 29 | 3H-Histamine | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 156391 | 46522 | 95 | 3H-Histamine | -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-Histamine | -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-Histamine | -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 | ||
| 10624 | 69942 | 17 | 3H-Histamine | -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 | 3H-Histamine | -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 | 3H-Histamine | -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 | ||
| 21830793 | 91389 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | 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 | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 46780481 | 107032 | 18 | 3H-Histamine | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | 3H-Histamine | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | 3H-Histamine | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | 3H-Histamine | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 446220 | 132985 | 13 | 3H-Histamine | -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-Histamine | -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 | ||
| 4495 | 194850 | 87 | 3H-Histamine | -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-Histamine | -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-Histamine | -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-Histamine | -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-Histamine | -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 | ||
| 162265 | 200578 | 19 | 3H-Histamine | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200578 | 19 | 3H-Histamine | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200578 | 19 | 3H-Histamine | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4054 | 203780 | 64 | 3H-Histamine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 203780 | 64 | 3H-Histamine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 203780 | 64 | 3H-Histamine | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 11954259 | 214191 | 0 | 3H-Histamine | -33113 | 44 | Human | 5.0 | pKi | = | 5 | 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 | ||
| None | 214207 | 0 | 3H-Histamine | -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 | ||
| 104911 | 214239 | 0 | 3H-Histamine | -41686 | 38 | Human | 5.0 | pKi | = | 5 | 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 | ||
| None | 214362 | 0 | 3H-PYRILAMINE | -7585 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
| 25137849 | 214415 | 0 | 3H-Histamine | -4 | 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-Histamine | -4 | 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-Histamine | -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-Histamine | -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-Histamine | -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-Histamine | -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-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 214555 | 0 | 3H-Histamine | -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-Histamine | -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 | 214564 | 0 | 3H-Histamine | -13 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 1576 | 214565 | 0 | 3H-Histamine | -16 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| 135269 | 214629 | 0 | 3H-Histamine | -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-Histamine | -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 | ||
| 123619 | 214634 | 0 | 3H-Histamine | -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-Histamine | -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 | ||
| None | 214638 | 0 | 3H-Histamine | -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-Histamine | -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 | ||
| 135409468 | 1996 | 63 | 3H-Histamine | -363 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 1996 | 63 | 3H-Histamine | -363 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 1996 | 63 | 3H-Histamine | -363 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | 1 | 25 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1225 | 1438 | 24 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1438 | 24 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1438 | 24 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1438 | 24 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1438 | 24 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 1226 | 1980 | 16 | 3H-Histamine | 2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 41376 | 1980 | 16 | 3H-Histamine | 2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL12608 | 1980 | 16 | 3H-Histamine | 2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 1223 | 938 | 32 | 3H-JNJ 7777120 | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-JNJ 7777120 | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-JNJ 7777120 | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 1251 | 1975 | 34 | 3H-JNJ 7777120 | -100 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 3035842 | 1975 | 34 | 3H-JNJ 7777120 | -100 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| CHEMBL18661 | 1975 | 34 | 3H-JNJ 7777120 | -100 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 1253 | 2019 | 7 | 3H-N-alpha-methylhistamine | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | None | ||
| 132937 | 2019 | 7 | 3H-N-alpha-methylhistamine | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | None | ||
| CHEMBL19010 | 2019 | 7 | 3H-N-alpha-methylhistamine | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 342 | 6 | 1 | 2 | 3.2 | Ic1ccc(cc1)COCCCc1cnc[nH]1 | None | ||
| None | 214492 | 0 | 3H-Histamine | -13 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| None | 214492 | 0 | 3H-N-alpha-methylhistamine | -13 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| 1223 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 1267 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1267 | 3732 | 43 | 3H-N-alpha-methylhistamine | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-N-alpha-methylhistamine | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-N-alpha-methylhistamine | -33 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1547484 | 925 | 70 | 3H-PYRILAMINE | -5 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 654 | 925 | 70 | 3H-PYRILAMINE | -5 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 9072 | 925 | 70 | 3H-PYRILAMINE | -5 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL43064 | 925 | 70 | 3H-PYRILAMINE | -5 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB00568 | 925 | 70 | 3H-PYRILAMINE | -5 | 20 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 45037031 | 214385 | 0 | 3H-Histamine | -70 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 285 | 2 | 2 | 2 | 1.5 | C[C@H](CC1=CN=CN1)N.Br.Br | None | ||
| 1223 | 938 | 32 | 125I-iodophenpropit | -60 | 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 | 125I-iodophenpropit | -60 | 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 | 125I-iodophenpropit | -60 | 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 | ||
| 1204 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1204 | 1893 | 114 | 3H-N-alpha-methylhistamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-N-alpha-methylhistamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-N-alpha-methylhistamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-N-alpha-methylhistamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-N-alpha-methylhistamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-N-alpha-methylhistamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 2286 | 3122 | 48 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3122 | 48 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3122 | 48 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3122 | 48 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3122 | 48 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 3032915 | 15306 | 20 | 3H-Histamine | -1 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| CHEMBL12160 | 15306 | 20 | 3H-Histamine | -1 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| 1204 | 1893 | 114 | 3H-JNJ 7777120 | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-JNJ 7777120 | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-JNJ 7777120 | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-JNJ 7777120 | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-JNJ 7777120 | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-JNJ 7777120 | -3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1251 | 1975 | 34 | 125I-iodophenpropit | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 1251 | 1975 | 34 | 3H-Histamine | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 1251 | 1975 | 34 | 3H-N-alpha-methylhistamine | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 3035842 | 1975 | 34 | 125I-iodophenpropit | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 3035842 | 1975 | 34 | 3H-Histamine | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 3035842 | 1975 | 34 | 3H-N-alpha-methylhistamine | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| CHEMBL18661 | 1975 | 34 | 125I-iodophenpropit | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| CHEMBL18661 | 1975 | 34 | 3H-Histamine | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| CHEMBL18661 | 1975 | 34 | 3H-N-alpha-methylhistamine | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| None | 214492 | 0 | 125I-iodophenpropit | -13 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| None | 214492 | 0 | 3H-JNJ 7777120 | -13 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| 103 | 4074 | 56 | 3H-Histamine | -89 | 54 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | 3H-Histamine | -89 | 54 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | 3H-Histamine | -89 | 54 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | 3H-Histamine | -89 | 54 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | 3H-Histamine | -89 | 54 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 135398737 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 11957573 | 1971 | 29 | 3H-Histamine | -40 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 1250 | 1971 | 29 | 3H-Histamine | -40 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 3692 | 1971 | 29 | 3H-Histamine | -40 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| CHEMBL19439 | 1971 | 29 | 3H-Histamine | -40 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 277 | 1269 | 55 | 3H-PYRILAMINE | -301 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | 3H-PYRILAMINE | -301 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | 3H-PYRILAMINE | -301 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | 3H-PYRILAMINE | -301 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | 3H-PYRILAMINE | -301 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1241 | 1998 | 46 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | ||
| 1242 | 1998 | 46 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | ||
| 3614 | 1998 | 46 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | ||
| CHEMBL507 | 1998 | 46 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | ||
| None | 214362 | 0 | 3H-Histamine | -7585 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
| 100 | 3733 | 52 | 3H-Histamine | -56 | 56 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | 3H-Histamine | -56 | 56 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | 3H-Histamine | -56 | 56 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | 3H-Histamine | -56 | 56 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | 3H-Histamine | -56 | 56 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1204 | 1893 | 114 | 125I-iodophenpropit | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 125I-iodophenpropit | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 125I-iodophenpropit | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 125I-iodophenpropit | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 125I-iodophenpropit | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 125I-iodophenpropit | -3 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1226 | 1980 | 16 | 3H-N-alpha-methylhistamine | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 41376 | 1980 | 16 | 3H-N-alpha-methylhistamine | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL12608 | 1980 | 16 | 3H-N-alpha-methylhistamine | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 45037031 | 214385 | 0 | 3H-N-alpha-methylhistamine | -70 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 285 | 2 | 2 | 2 | 1.5 | C[C@H](CC1=CN=CN1)N.Br.Br | None | ||
| 1267 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1210 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | 3H-PYRILAMINE | -186 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 135398737 | 942 | 89 | 125I-iodophenpropit | -57 | 92 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 125I-iodophenpropit | -57 | 92 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 125I-iodophenpropit | -57 | 92 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 125I-iodophenpropit | -57 | 92 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 125I-iodophenpropit | -57 | 92 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1239 | 1994 | 23 | 3H-N-alpha-methylhistamine | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | None | ||
| 1240 | 1994 | 23 | 3H-N-alpha-methylhistamine | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | None | ||
| 912 | 1994 | 23 | 3H-N-alpha-methylhistamine | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | None | ||
| CHEMBL268490 | 1994 | 23 | 3H-N-alpha-methylhistamine | -154 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | None | ||
| 180 | 397 | 50 | 3H-PYRILAMINE | -32 | 39 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | 3H-PYRILAMINE | -32 | 39 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | 3H-PYRILAMINE | -32 | 39 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | 3H-PYRILAMINE | -32 | 39 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | 3H-PYRILAMINE | -32 | 39 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 1204 | 1893 | 114 | 3H-PYRILAMINE | -3 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-PYRILAMINE | -3 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-PYRILAMINE | -3 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-PYRILAMINE | -3 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-PYRILAMINE | -3 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-PYRILAMINE | -3 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| None | 214362 | 0 | 3H-Histamine | -7585 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
| 1248 | 1391 | 27 | 3H-Histamine | -15 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 3077 | 1391 | 27 | 3H-Histamine | -15 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 90045 | 1391 | 27 | 3H-Histamine | -15 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| CHEMBL12344 | 1391 | 27 | 3H-Histamine | -15 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 11957573 | 1971 | 29 | 3H-PYRILAMINE | -40 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 1250 | 1971 | 29 | 3H-PYRILAMINE | -40 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 3692 | 1971 | 29 | 3H-PYRILAMINE | -40 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| CHEMBL19439 | 1971 | 29 | 3H-PYRILAMINE | -40 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 921599 | 19240 | 44 | 3H-Histamine | 234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 2 | 1.2 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | None | ||
| CHEMBL129660 | 19240 | 44 | 3H-Histamine | 234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 2 | 1.2 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1267 | 3732 | 43 | 125I-iodophenpropit | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 125I-iodophenpropit | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 125I-iodophenpropit | -33 | 28 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3032915 | 15306 | 20 | 3H-Histamine | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| 3032915 | 15306 | 20 | 3H-N-alpha-methylhistamine | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| CHEMBL12160 | 15306 | 20 | 3H-Histamine | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| CHEMBL12160 | 15306 | 20 | 3H-N-alpha-methylhistamine | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| 135398737 | 942 | 89 | 3H-JNJ 7777120 | -57 | 92 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-JNJ 7777120 | -57 | 92 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-JNJ 7777120 | -57 | 92 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-JNJ 7777120 | -57 | 92 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-JNJ 7777120 | -57 | 92 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 45073439 | 214386 | 0 | 3H-N-alpha-methylhistamine | -75 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 285 | 2 | 2 | 2 | 1.5 | C[C@@H](CC1=CN=CN1)N.Br.Br | None | ||
| 1224 | 1399 | 79 | None | -194 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1399 | 79 | None | -194 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1399 | 79 | None | -194 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1399 | 79 | None | -194 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1399 | 79 | None | -194 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1399 | 79 | None | -194 | 13 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 2782 | 31769 | 62 | 3H-PYRILAMINE | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | ||
| CHEMBL1407943 | 31769 | 62 | 3H-PYRILAMINE | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | ||
| CHEMBL3216363 | 31769 | 62 | 3H-PYRILAMINE | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | ||
| 1223 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 4761 | 13315 | 39 | 3H-PYRILAMINE | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | ||
| CHEMBL1193 | 13315 | 39 | 3H-PYRILAMINE | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | ||
| CHEMBL1580221 | 13315 | 39 | 3H-PYRILAMINE | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | ||
| 1267 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1267 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-Histamine | -33 | 28 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 115237 | 55281 | 113 | None | -891 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | None | -891 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 2247 | 502 | 77 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 5625 | 215961 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 456 | 6 | 3 | 6 | 2.7 | CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2 | None | ||
| 1613 | 2306 | 44 | None | -134 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | None | -134 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | None | -134 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | None | -134 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | None | -134 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 16106 | 117630 | 28 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | None | ||
| CHEMBL340801 | 117630 | 28 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | None | ||
| 4761 | 13315 | 39 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | ||
| CHEMBL1193 | 13315 | 39 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | ||
| CHEMBL1580221 | 13315 | 39 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | ||
| 135398737 | 942 | 89 | None | -54 | 92 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | None | -54 | 92 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | None | -54 | 92 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | None | -54 | 92 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | None | -54 | 92 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 100 | 3733 | 52 | None | -56 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | None | -56 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | None | -56 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | None | -56 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | None | -56 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 16362 | 3064 | 67 | None | -562 | 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 | -562 | 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 | -562 | 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 | -562 | 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 | -562 | 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 | ||
| 135398737 | 942 | 89 | None | -44 | 92 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | None | -44 | 92 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | None | -44 | 92 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | None | -44 | 92 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | None | -44 | 92 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 103 | 4074 | 56 | None | -89 | 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 | -89 | 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 | -89 | 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 | -89 | 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 | -89 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2726 | 904 | 64 | 3H-PYRILAMINE | -70 | 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-PYRILAMINE | -70 | 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-PYRILAMINE | -70 | 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-PYRILAMINE | -70 | 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-PYRILAMINE | -70 | 73 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2726 | 904 | 64 | 3H-Histamine | -70 | 73 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-Histamine | -70 | 73 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-Histamine | -70 | 73 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-Histamine | -70 | 73 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-Histamine | -70 | 73 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1613 | 2306 | 44 | 3H-Histamine | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | 3H-Histamine | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | 3H-Histamine | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | 3H-Histamine | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | 3H-Histamine | -134 | 45 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 135398737 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 11957573 | 1971 | 29 | 3H-N-alpha-methylhistamine | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 1250 | 1971 | 29 | 3H-N-alpha-methylhistamine | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 3692 | 1971 | 29 | 3H-N-alpha-methylhistamine | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| CHEMBL19439 | 1971 | 29 | 3H-N-alpha-methylhistamine | -40 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | None | ||
| 2782 | 31769 | 62 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | ||
| CHEMBL1407943 | 31769 | 62 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | ||
| CHEMBL3216363 | 31769 | 62 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | ||
| 1210 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | None | -186 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2286 | 3122 | 48 | None | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 2726 | 904 | 64 | None | -70 | 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 | -70 | 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 | -70 | 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 | -70 | 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 | -70 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1223 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 1223 | 938 | 32 | 3H-N-alpha-methylhistamine | -60 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-N-alpha-methylhistamine | -60 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-Histamine | -60 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-N-alpha-methylhistamine | -60 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 135 | 2486 | 38 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1267 | 3732 | 43 | 3H-JNJ 7777120 | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1267 | 3732 | 43 | 3H-JNJ-5207852 | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-JNJ 7777120 | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-JNJ-5207852 | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-JNJ 7777120 | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-JNJ-5207852 | -33 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 180 | 397 | 50 | None | -32 | 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 | -32 | 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 | -32 | 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 | -32 | 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 | -32 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 277 | 1269 | 55 | None | -301 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | None | -301 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | None | -301 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | None | -301 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | None | -301 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1204 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | None | 1 | 25 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 135398737 | 942 | 89 | None | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-Histamine | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 942 | 89 | 3H-PYRILAMINE | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-PYRILAMINE | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-PYRILAMINE | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-PYRILAMINE | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-PYRILAMINE | -57 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 115237 | 55281 | 113 | 3H-Histamine | -891 | 55 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | 3H-Histamine | -891 | 55 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 1251 | 1975 | 34 | 3H-Histamine | -100 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 3035842 | 1975 | 34 | 3H-Histamine | -100 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| CHEMBL18661 | 1975 | 34 | 3H-Histamine | -100 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | None | ||
| 23650961 | 3773 | 18 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | None | ||
| 9276 | 3773 | 18 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | None | ||
| CHEMBL3301609 | 3773 | 18 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | None | ||
| DB12522 | 3773 | 18 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 392 | 6 | 2 | 5 | 4.5 | CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C | None | ||
| 1265 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 12606603 | ||
| 1265 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 15294456 | ||
| 1265 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
| 6422124 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 12606603 | ||
| 6422124 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 15294456 | ||
| 6422124 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
| CHEMBL14638 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 12606603 | ||
| CHEMBL14638 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 15294456 | ||
| CHEMBL14638 | 927 | 54 | None | -2290 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11179434 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11179436 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11181941 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 12606603 | ||
| 1267 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 15294456 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11179434 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11179436 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11181941 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 12606603 | ||
| 3035905 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 15294456 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11179434 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11179436 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11181941 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 12606603 | ||
| CHEMBL260374 | 3732 | 43 | None | -33 | 28 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 15294456 | ||
| 10446295 | 2092 | 29 | None | 269 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 15454206 | ||
| 1277 | 2092 | 29 | None | 269 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 15454206 | ||
| CHEMBL185951 | 2092 | 29 | None | 269 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 278 | 1 | 1 | 3 | 1.6 | CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl | 15454206 | ||
| 1223 | 938 | 32 | None | -338 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| 2790 | 938 | 32 | None | -338 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| CHEMBL14690 | 938 | 32 | None | -338 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| 1274 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 17154494 | ||
| 3063228 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 17154494 | ||
| CHEMBL1196470 | 3989 | 12 | None | 19 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 161 | 3 | 4 | 3 | -1.1 | NC(=N)SCCN=C(N)N | 17154494 | ||
| 1269 | 121 | 33 | None | 213 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 15947036 | ||
| 1269 | 121 | 33 | None | 213 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 16432504 | ||
| 37463 | 121 | 33 | None | 213 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 15947036 | ||
| 37463 | 121 | 33 | None | 213 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 16432504 | ||
| CHEMBL275443 | 121 | 33 | None | 213 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 15947036 | ||
| CHEMBL275443 | 121 | 33 | None | 213 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 16432504 | ||
| 1223 | 938 | 32 | None | -363 | 11 | Mouse | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| 2790 | 938 | 32 | None | -363 | 11 | Mouse | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| CHEMBL14690 | 938 | 32 | None | -363 | 11 | Mouse | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11179434 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11181941 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
| 1223 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 15947036 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11179434 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11181941 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
| 2790 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 15947036 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11179434 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11181941 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 11561071 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
| CHEMBL14690 | 938 | 32 | None | -60 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 15947036 | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 24495018 | ||
| 24994634 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 24495018 | ||
| 8984 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 24495018 | ||
| CHEMBL3236549 | 2102 | 26 | None | -2 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
| 45257132 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
| 8983 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
| CHEMBL595180 | 3613 | 3 | None | 42 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 15947036 | ||
| 1278 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 16854056 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 15947036 | ||
| 1279 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 16854056 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 15947036 | ||
| 4908365 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 16854056 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 14722321 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 15947036 | ||
| CHEMBL129198 | 2110 | 79 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 1 | 1 | 2 | 2.2 | CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl | 16854056 | ||
| 117072554 | 1984 | 0 | None | 81 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | ||
| 8982 | 1984 | 0 | None | 81 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | ||
| 24745335 | 292 | 7 | None | 4 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 26084539 | ||
| 8985 | 292 | 7 | None | 4 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 26084539 | ||
| CHEMBL1915540 | 292 | 7 | None | 4 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 26084539 | ||
| DB15027 | 292 | 7 | None | 4 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 6 | 0.7 | CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N | 26084539 | ||
| 5048 | 3072 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| 8924 | 3072 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| 9948102 | 3072 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| CHEMBL462605 | 3072 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| DB11642 | 3072 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| 441082 | 1136 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 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 | 26084539 | ||
| 8981 | 1136 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 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 | 26084539 | ||
| CHEMBL191703 | 1136 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 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 | 26084539 | ||
| 11697697 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| 7346 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| CHEMBL476323 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| DB11910 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| 1547484 | 925 | 70 | None | -5 | 20 | Human | 8.2 | pKi | None | 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 | -5 | 20 | Human | 8.2 | pKi | None | 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 | -5 | 20 | Human | 8.2 | pKi | None | 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 | -5 | 20 | Human | 8.2 | pKi | None | 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 | -5 | 20 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 10058807 | 1979 | 2 | None | -1 | 2 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 206 | 4 | 3 | 3 | -0.0 | CN=C(NC#N)NCCCc1cnc[nH]1 | 11179436 | ||
| 1276 | 1979 | 2 | None | -1 | 2 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 206 | 4 | 3 | 3 | -0.0 | CN=C(NC#N)NCCCc1cnc[nH]1 | 11179436 | ||
| CHEMBL2261340 | 1979 | 2 | None | -1 | 2 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 206 | 4 | 3 | 3 | -0.0 | CN=C(NC#N)NCCCc1cnc[nH]1 | 11179436 | ||
| 135398737 | 942 | 89 | None | -54 | 92 | Mouse | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 38 | 942 | 89 | None | -54 | 92 | Mouse | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 722 | 942 | 89 | None | -54 | 92 | Mouse | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| CHEMBL42 | 942 | 89 | None | -54 | 92 | Mouse | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| DB00363 | 942 | 89 | None | -54 | 92 | Mouse | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 1238 | 2043 | 11 | None | -19 | 3 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 11181941 | ||
| 6603865 | 2043 | 11 | None | -19 | 3 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 11181941 | ||
| CHEMBL11919 | 2043 | 11 | None | -19 | 3 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@@H](Cc1cnc[nH]1)N | 11181941 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
| 1248 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
| 3077 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
| 90045 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
| CHEMBL12344 | 1391 | 27 | None | -15 | 7 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
| 135398737 | 942 | 89 | None | -44 | 92 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 38 | 942 | 89 | None | -44 | 92 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 722 | 942 | 89 | None | -44 | 92 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| CHEMBL42 | 942 | 89 | None | -44 | 92 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| DB00363 | 942 | 89 | None | -44 | 92 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 11313837 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 15771452 | ||
| 1254 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 15771452 | ||
| CHEMBL175782 | 2454 | 7 | None | -1995 | 2 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 179 | 2 | 1 | 2 | 1.3 | CN1CCC(CC1)Cc1[nH]cnc1 | 15771452 | ||
| 124846 | 1907 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 382 | 10 | 3 | 3 | 4.1 | CC(NCCc1cnc[nH]1)CCCCC(=O)Nc1ccc(cc1)C(F)(F)F | 11179436 | ||
| 1273 | 1907 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 382 | 10 | 3 | 3 | 4.1 | CC(NCCc1cnc[nH]1)CCCCC(=O)Nc1ccc(cc1)C(F)(F)F | 11179436 | ||
| CHEMBL67601 | 1907 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 382 | 10 | 3 | 3 | 4.1 | CC(NCCc1cnc[nH]1)CCCCC(=O)Nc1ccc(cc1)C(F)(F)F | 11179436 | ||
| 12656 | 2001 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 139 | 3 | 1 | 2 | 0.5 | CN(CCc1[nH]cnc1)C | 16432504 | ||
| 1270 | 2001 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 139 | 3 | 1 | 2 | 0.5 | CN(CCc1[nH]cnc1)C | 16432504 | ||
| CHEMBL12704 | 2001 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 139 | 3 | 1 | 2 | 0.5 | CN(CCc1[nH]cnc1)C | 16432504 | ||
| 1194 | 46 | 3 | None | -1318 | 4 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 15947036 | ||
| 23786499 | 46 | 3 | None | -1318 | 4 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 15947036 | ||
| CHEMBL26116 | 46 | 3 | None | -1318 | 4 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 265 | 3 | 2 | 2 | 2.3 | NCCc1cnc([nH]1)c1cccc(c1)Br | 15947036 | ||
| 1229 | 730 | 0 | None | -19 | 6 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11561071 | ||
| 5311293 | 730 | 0 | None | -19 | 6 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11561071 | ||
| 1229 | 730 | 0 | None | -15 | 6 | Mouse | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11561071 | ||
| 5311293 | 730 | 0 | None | -15 | 6 | Mouse | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11561071 | ||
| 1236 | 2028 | 23 | None | -851 | 7 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 1237 | 2028 | 23 | None | -851 | 7 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 156615 | 2028 | 23 | None | -851 | 7 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| CHEMBL268229 | 2028 | 23 | None | -851 | 7 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 1241 | 1998 | 46 | None | -407 | 5 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 1242 | 1998 | 46 | None | -407 | 5 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 3614 | 1998 | 46 | None | -407 | 5 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| CHEMBL507 | 1998 | 46 | None | -407 | 5 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 1268 | 82 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 221 | 4 | 3 | 5 | -2.0 | OCCN1CN(CO)C(=S)N(C1)CO | 15947036 | ||
| 1268 | 82 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 221 | 4 | 3 | 5 | -2.0 | OCCN1CN(CO)C(=S)N(C1)CO | 16432504 | ||
| 92613 | 82 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 221 | 4 | 3 | 5 | -2.0 | OCCN1CN(CO)C(=S)N(C1)CO | 15947036 | ||
| 92613 | 82 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 221 | 4 | 3 | 5 | -2.0 | OCCN1CN(CO)C(=S)N(C1)CO | 16432504 | ||
| 1236 | 2028 | 23 | None | -537 | 7 | Mouse | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 1237 | 2028 | 23 | None | -537 | 7 | Mouse | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 156615 | 2028 | 23 | None | -537 | 7 | Mouse | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| CHEMBL268229 | 2028 | 23 | None | -537 | 7 | Mouse | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179434 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179436 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 135398737 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15947036 | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179434 | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179436 | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 38 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15947036 | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179434 | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179436 | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| 722 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15947036 | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179434 | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179436 | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| CHEMBL42 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15947036 | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179434 | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11179436 | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11561071 | ||
| DB00363 | 942 | 89 | None | -57 | 92 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 15947036 | ||
| 1241 | 1998 | 46 | None | -257 | 5 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 1242 | 1998 | 46 | None | -257 | 5 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 3614 | 1998 | 46 | None | -257 | 5 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| CHEMBL507 | 1998 | 46 | None | -257 | 5 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179436 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11181941 | ||
| 1236 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179436 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11181941 | ||
| 1237 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179436 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11181941 | ||
| 156615 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179434 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11179436 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11181941 | ||
| CHEMBL268229 | 2028 | 23 | None | -204 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.3 | C[C@H](Cc1cnc[nH]1)N | 11561071 | ||
| 1271 | 1997 | 0 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 139 | 3 | 1 | 3 | 0.4 | NCCc1ncn(c1)CC | 16432504 | ||
| 44292270 | 1997 | 0 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 139 | 3 | 1 | 3 | 0.4 | NCCc1ncn(c1)CC | 16432504 | ||
| CHEMBL46296 | 1997 | 0 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 139 | 3 | 1 | 3 | 0.4 | NCCc1ncn(c1)CC | 16432504 | ||
| 1239 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | ||
| 1239 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | ||
| 1240 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | ||
| 1240 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | ||
| 912 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | ||
| 912 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | ||
| CHEMBL268490 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | ||
| CHEMBL268490 | 1994 | 23 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | ||
| 1229 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11179434 | ||
| 1229 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11179436 | ||
| 1229 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11181941 | ||
| 1229 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11561071 | ||
| 1229 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 15947036 | ||
| 5311293 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11179434 | ||
| 5311293 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11179436 | ||
| 5311293 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11181941 | ||
| 5311293 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 11561071 | ||
| 5311293 | 730 | 0 | None | -1 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 15947036 | ||
| 1204 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1247 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1375 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 774 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL90 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| DB05381 | 1893 | 114 | None | -12 | 25 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1204 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1247 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1375 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 774 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL90 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| DB05381 | 1893 | 114 | None | -15 | 25 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1241 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| 1241 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 1241 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 16432504 | ||
| 1242 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| 1242 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 1242 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 16432504 | ||
| 3614 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| 3614 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| 3614 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 16432504 | ||
| CHEMBL507 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11179434 | ||
| CHEMBL507 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 11561071 | ||
| CHEMBL507 | 1998 | 46 | None | -89 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | 16432504 | ||
| 1267 | 3732 | 43 | None | -21 | 28 | Mouse | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| 1267 | 3732 | 43 | None | -14 | 28 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| 3035905 | 3732 | 43 | None | -21 | 28 | Mouse | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| 3035905 | 3732 | 43 | None | -14 | 28 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| CHEMBL260374 | 3732 | 43 | None | -21 | 28 | Mouse | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| CHEMBL260374 | 3732 | 43 | None | -14 | 28 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 11561071 | ||
| 1266 | 2018 | 0 | None | -23 | 3 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 416 | 9 | 3 | 4 | 2.8 | N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I | 11179436 | ||
| 3960 | 2018 | 0 | None | -23 | 3 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 416 | 9 | 3 | 4 | 2.8 | N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I | 11179436 | ||
| 5311186 | 2018 | 0 | None | -23 | 3 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 416 | 9 | 3 | 4 | 2.8 | N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I | 11179436 | ||
| 1226 | 1980 | 16 | None | 2 | 7 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 11179434 | ||
| 1226 | 1980 | 16 | None | 2 | 7 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 15947036 | ||
| 41376 | 1980 | 16 | None | 2 | 7 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 11179434 | ||
| 41376 | 1980 | 16 | None | 2 | 7 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 15947036 | ||
| CHEMBL12608 | 1980 | 16 | None | 2 | 7 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 11179434 | ||
| CHEMBL12608 | 1980 | 16 | None | 2 | 7 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 15947036 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 11179434 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 11179436 | ||
| 1251 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 14640553 | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 11179434 | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 11179436 | ||
| 3035842 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 14640553 | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 11179434 | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 11179436 | ||
| CHEMBL18661 | 1975 | 34 | None | -100 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 165 | 2 | 2 | 2 | 1.0 | N1CCC(CC1)Cc1[nH]cnc1 | 14640553 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
| 1204 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
| 1247 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
| 1375 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
| 774 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
| CHEMBL90 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
| DB05381 | 1893 | 114 | None | -3 | 25 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
| 11957573 | 1971 | 29 | None | -27 | 6 | Mouse | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 11957573 | 1971 | 29 | None | -27 | 6 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 1250 | 1971 | 29 | None | -27 | 6 | Mouse | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 1250 | 1971 | 29 | None | -27 | 6 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 3692 | 1971 | 29 | None | -27 | 6 | Mouse | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 3692 | 1971 | 29 | None | -27 | 6 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL19439 | 1971 | 29 | None | -27 | 6 | Mouse | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL19439 | 1971 | 29 | None | -27 | 6 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179434 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179436 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11181941 | ||
| 11957573 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179434 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179436 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11181941 | ||
| 1250 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179434 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179436 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11181941 | ||
| 3692 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179434 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11179436 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11181941 | ||
| CHEMBL19439 | 1971 | 29 | None | -40 | 6 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 170 | 3 | 3 | 3 | 0.6 | NC(=N)SCCc1cnc[nH]1 | 11561071 | ||