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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 6526 | 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 | 6526 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 58581 | 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 | 58581 | 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 | 175921 | 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 | 175921 | 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 | 175921 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 3626 | 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 | 3626 | 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 | 3626 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 3626 | 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 | 3626 | 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 | 3626 | 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 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 56188 | 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 | 56188 | 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 | 56188 | 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 | 56188 | 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 | 187854 | 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 | 187854 | 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 | 103718 | 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 | 103718 | 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 | 139670 | 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 | 139670 | 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 | 56187 | 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 | 56187 | 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 | 1984 | 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 | 1984 | 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 | 1984 | 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 | 116640 | 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 | 116640 | 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 | 61233 | 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 | 61233 | 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 | 138690 | 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 | 138690 | 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 | 198492 | 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 | 198492 | 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 | 187043 | 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 | 187043 | 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 | 186980 | 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 | 186980 | 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 | 187012 | 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 | 187012 | 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 | 187043 | 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 | 187043 | 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 | 78270 | 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 | 78270 | 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 | 200459 | 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 | 200459 | 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 | 187046 | 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 | 187046 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 5698 | 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 | 5698 | 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 | 61197 | 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 | 61197 | 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 | 1901 | 114 | None | -1 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
127052293 | 139708 | 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 | 139708 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 198226 | 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 | 198226 | 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 | 139712 | 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 | 139712 | 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 | 139717 | 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 | 139717 | 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 | 139785 | 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 | 139785 | 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 | 116620 | 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 | 116620 | 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 | 186750 | 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 | 186750 | 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 | 187000 | 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 | 187000 | 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 | 187818 | 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 | 187818 | 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 | 172044 | 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 | 172044 | 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 | 56185 | 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 | 56185 | 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 | 187834 | 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 | 187834 | 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 | 139785 | 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 | 139785 | 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 | 61229 | 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 | 61229 | 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 | 1901 | 114 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
25130914 | 186671 | 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 | 186671 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 2027 | 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 | 2027 | 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 | 2027 | 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 | 4000 | 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 | 4000 | 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 | 4000 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 5655 | 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 | 5655 | 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 | 186642 | 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 | 186642 | 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 | 5560 | 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 | 5560 | 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 | 187079 | 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 | 187079 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 186820 | 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 | 186820 | 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 | 139774 | 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 | 139774 | 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 | 58584 | 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 | 58584 | 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 | 108090 | 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 | 108090 | 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 | 103310 | 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 | 103310 | 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 | 2051 | 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 | 2051 | 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 | 2051 | 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 | 56185 | 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 | 56185 | 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 | 109141 | 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 | 109141 | 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 | 5686 | 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 | 5686 | 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 | 109141 | 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 | 109141 | 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 | 139772 | 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 | 139772 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 108090 | 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 | 108090 | 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 | 186700 | 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 | 186700 | 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 | 139708 | 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 | 139708 | 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 | 77655 | 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 | 77655 | 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 | 78051 | 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 | 78051 | 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 | 188474 | 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 | 188474 | 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 | 5599 | 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 | 5599 | 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 | 186821 | 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 | 186821 | 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 | 187045 | 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 | 187045 | 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 | 139790 | 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 | 139790 | 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 | 116623 | 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 | 116623 | 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 | 186600 | 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 | 186600 | 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 | 186898 | 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 | 186898 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 178408 | 0 | None | -6 | 3 | 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 | 178408 | 0 | None | -6 | 3 | 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 | 183643 | 0 | None | -6 | 3 | 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 | 183643 | 0 | None | -6 | 3 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 139765 | 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 | 139765 | 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 | 6506 | 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 | 6506 | 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 | 5697 | 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 | 5697 | 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 | 58584 | 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 | 58584 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 1901 | 114 | None | -97 | 10 | 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 | 1901 | 114 | None | -97 | 10 | 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 | 1901 | 114 | None | -97 | 10 | 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 | 1901 | 114 | None | -97 | 10 | 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 | 1901 | 114 | None | -97 | 10 | 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 | 1901 | 114 | None | -97 | 10 | 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 | 1396 | 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 | 1396 | 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 | 1396 | 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 | 1396 | 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 | 93179 | 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 | 93179 | 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 | 61218 | 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 | 61218 | 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 | 187002 | 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 | 187002 | 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 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1204 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
44480959 | 5600 | 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 | 5600 | 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 | 173324 | 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 | 173324 | 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 | 188073 | 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 | 188073 | 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 | 139748 | 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 | 139748 | 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 | 192528 | 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 | 192528 | 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 | 187121 | 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 | 187121 | 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 | 187011 | 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 | 187011 | 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 | 187669 | 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 | 187669 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 188474 | 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 | 188474 | 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 | 1901 | 114 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
25130233 | 170046 | 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 | 170046 | 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 | 172044 | 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 | 172044 | 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 | 186793 | 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 | 186793 | 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 | 170848 | 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 | 170848 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 198222 | 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 | 198222 | 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 | 79856 | 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 | 79856 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 15321 | 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 | 15321 | 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 | 56184 | 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 | 56184 | 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 | 102438 | 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 | 102438 | 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 | 192115 | 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 | 192115 | 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 | 192507 | 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 | 192507 | 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 | 5138 | 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 | 5138 | 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 | 205253 | 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 | 205253 | 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 | 205253 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 56187 | 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 | 56187 | 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 | 56189 | 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 | 56189 | 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 | 198371 | 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 | 198371 | 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 | 5229 | 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 | 5229 | 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 | 5229 | 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 | 5229 | 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 | 5218 | 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 | 5218 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 116630 | 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 | 116630 | 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 | 77598 | 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 | 77598 | 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 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
16061961 | 197997 | 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 | 197997 | 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 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
127052635 | 139677 | 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 | 139677 | 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 | 186699 | 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 | 186699 | 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 | 139670 | 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 | 139670 | 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 | 186596 | 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 | 186596 | 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 | 186671 | 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 | 186671 | 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 | 5218 | 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 | 5218 | 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 | 2316 | 44 | None | -16 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
205 | 2316 | 44 | None | -16 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
3964 | 2316 | 44 | None | -16 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
CHEMBL831 | 2316 | 44 | None | -16 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
DB00408 | 2316 | 44 | None | -16 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
753256 | 178770 | 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 | 178770 | 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 | 186763 | 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 | 186763 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 5138 | 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 | 5138 | 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 | 186599 | 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 | 186599 | 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 | 192591 | 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 | 192591 | 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 | 171446 | 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 | 171446 | 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 | 186771 | 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 | 186771 | 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 | 139664 | 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 | 139664 | 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 | 187078 | 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 | 187078 | 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 | 192121 | 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 | 192121 | 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 | 186767 | 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 | 186767 | 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 | 187006 | 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 | 187006 | 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 | 172029 | 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 | 172029 | 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 | 8007 | 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 | 8007 | 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 | 139779 | 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 | 139779 | 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 | 108991 | 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 | 108991 | 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 | 187043 | 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 | 187043 | 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 | 188229 | 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 | 188229 | 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 | 187043 | 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 | 187043 | 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 | 115417 | 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 | 115417 | 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 | 1901 | 114 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1226 | 1988 | 16 | None | - | 1 | 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 | 1988 | 16 | None | - | 1 | 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 | 1988 | 16 | None | - | 1 | 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 | 187005 | 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 | 187005 | 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 | 171889 | 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 | 171889 | 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 | 5597 | 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 | 5597 | 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 | 188284 | 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 | 188284 | 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 | 139781 | 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 | 139781 | 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 | 198261 | 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 | 198261 | 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 | 186604 | 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 | 186604 | 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 | 203463 | 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 | 203463 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 139772 | 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 | 139772 | 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 | 1901 | 114 | None | -97 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -97 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -97 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -97 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -97 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -97 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
25128822 | 186898 | 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 | 186898 | 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 | 175921 | 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 | 175921 | 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 | 175921 | 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 | 6832 | 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 | 6832 | 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 | 7235 | 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 | 7235 | 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 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 188073 | 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 | 188073 | 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 | 184647 | 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 | 184647 | 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 | 116683 | 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 | 116683 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 187129 | 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 | 187129 | 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 | 5290 | 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 | 5290 | 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 | 198116 | 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 | 198116 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 186603 | 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 | 186603 | 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 | 192501 | 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 | 192501 | 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 | 116634 | 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 | 116634 | 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 | 115418 | 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 | 115418 | 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 | 116631 | 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 | 116631 | 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 | 5290 | 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 | 5290 | 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 | 192656 | 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 | 192656 | 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 | 186797 | 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 | 186797 | 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 | 5699 | 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 | 5699 | 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 | 6507 | 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 | 6507 | 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 | 5554 | 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 | 5554 | 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 | 180184 | 0 | None | -2089 | 6 | 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 | 180184 | 0 | None | -2089 | 6 | 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 | 81669 | 0 | None | -13 | 2 | 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 | 81669 | 0 | None | -13 | 2 | 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 | 169620 | 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 | 169620 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 186668 | 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 | 186668 | 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 | 186798 | 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 | 186798 | 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 | 108990 | 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 | 108990 | 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 | 186669 | 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 | 186669 | 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 | 186981 | 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 | 186981 | 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 | 5699 | 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 | 5699 | 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 | 5699 | 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 | 5699 | 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 | 186831 | 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 | 186831 | 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 | 198185 | 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 | 198185 | 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 | 139736 | 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 | 139736 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 141400 | 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 | 141400 | 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 | 187002 | 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 | 187002 | 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 | 186821 | 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 | 186821 | 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 | 6526 | 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 | 6526 | 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 | 56188 | 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 | 56188 | 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 | 186704 | 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 | 186704 | 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 | 186704 | 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 | 186704 | 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 | 75339 | 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 | 75339 | 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 | 17804 | 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 | 17804 | 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 | 116626 | 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 | 116626 | 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 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 192116 | 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 | 192116 | 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 | 180184 | 0 | None | -2 | 6 | 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 | 180184 | 0 | None | -2 | 6 | 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 | 192575 | 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 | 192575 | 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 | 108081 | 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 | 108081 | 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 | 81667 | 0 | None | -10 | 3 | 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 | 81667 | 0 | None | -10 | 3 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 186601 | 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 | 186601 | 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 | 186797 | 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 | 186797 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 187818 | 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 | 187818 | 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 | 186830 | 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 | 186830 | 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 | 198184 | 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 | 198184 | 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 | 139720 | 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 | 139720 | 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 | 186598 | 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 | 186598 | 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 | 169808 | 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 | 169808 | 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 | 108989 | 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 | 108989 | 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 | 186302 | 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 | 186302 | 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 | 186642 | 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 | 186642 | 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 | 187004 | 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 | 187004 | 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 | 6437 | 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 | 6437 | 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 | 198400 | 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 | 198400 | 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 | 116613 | 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 | 116613 | 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 | 186671 | 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 | 186671 | 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 | 187085 | 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 | 187085 | 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 | 187118 | 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 | 187118 | 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 | 187854 | 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 | 187854 | 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 | 61195 | 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 | 61195 | 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 | 7304 | 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 | 7304 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 56187 | 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 | 56187 | 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 | 2464 | 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 | 2464 | 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 | 2464 | 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 | 108872 | 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 | 108872 | 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 | 1901 | 114 | None | -51 | 10 | 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 | 1901 | 114 | None | -51 | 10 | 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 | 1901 | 114 | None | -51 | 10 | 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 | 1901 | 114 | None | -51 | 10 | 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 | 1901 | 114 | None | -51 | 10 | 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 | 1901 | 114 | None | -51 | 10 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 173730 | 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 | 173730 | 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 | 186752 | 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 | 186752 | 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 | 139667 | 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 | 139667 | 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 | 1901 | 114 | None | -97 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -97 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -97 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -97 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -97 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -97 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
53233803 | 61193 | 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 | 61193 | 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 | 186598 | 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 | 186598 | 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 | 139715 | 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 | 139715 | 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 | 108988 | 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 | 108988 | 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 | 109255 | 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 | 109255 | 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 | 108872 | 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 | 108872 | 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 | 186705 | 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 | 186705 | 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 | 198305 | 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 | 198305 | 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 | 5548 | 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 | 5548 | 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 | 186707 | 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 | 186707 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 198222 | 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 | 198222 | 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 | 192575 | 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 | 192575 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 193679 | 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 | 193679 | 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 | 193679 | 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 | 192116 | 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 | 192116 | 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 | 6968 | 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 | 6968 | 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 | 200472 | 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 | 200472 | 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 | 6438 | 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 | 6438 | 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 | 3146 | 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 | 3146 | 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 | 3146 | 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 | 202769 | 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 | 202769 | 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 | 202829 | 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 | 202829 | 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 | 56189 | 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 | 56189 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 186796 | 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 | 186796 | 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 | 186671 | 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 | 186671 | 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 | 171285 | 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 | 171285 | 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 | 186662 | 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 | 186662 | 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 | 1901 | 114 | None | -51 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -51 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -51 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -51 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -51 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -51 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
25130912 | 188153 | 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 | 188153 | 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 | 1901 | 114 | None | -1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
25149521 | 178474 | 0 | None | 9 | 2 | 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 | 178474 | 0 | None | 9 | 2 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 5566 | 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 | 5566 | 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 | 7231 | 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 | 7231 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 5081 | 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 | 5081 | 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 | 116627 | 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 | 116627 | 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 | 5637 | 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 | 5637 | 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 | 5286 | 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 | 5286 | 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 | 7313 | 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 | 7313 | 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 | 5722 | 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 | 5722 | 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 | 108783 | 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 | 108783 | 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 | 108783 | 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 | 108783 | 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 | 81666 | 0 | None | 2 | 2 | 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 | 81666 | 0 | None | 2 | 2 | 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 | 108783 | 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 | 108783 | 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 | 202780 | 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 | 202780 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 1901 | 114 | None | -1 | 10 | 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 | 56189 | 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 | 56189 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 5081 | 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 | 5081 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 180184 | 0 | None | -501 | 6 | 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 | 180184 | 0 | None | -501 | 6 | 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 | 5286 | 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 | 5286 | 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 | 7313 | 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 | 7313 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 171889 | 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 | 171889 | 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 | 186766 | 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 | 186766 | 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 | 188169 | 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 | 188169 | 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 | 81653 | 0 | None | -2 | 3 | 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 | 81653 | 0 | None | -2 | 3 | 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 | 81668 | 0 | None | -4 | 3 | 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 | 81668 | 0 | None | -4 | 3 | 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 | 198226 | 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 | 198226 | 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 | 138751 | 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 | 138751 | 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 | 172192 | 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 | 172192 | 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 | 116622 | 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 | 116622 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 107721 | 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 | 107721 | 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 | 61216 | 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 | 61216 | 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 | 116628 | 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 | 116628 | 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 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1204 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -51 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1274 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 187118 | 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 | 187118 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 168893 | 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 | 168893 | 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 | 186666 | 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 | 186666 | 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 | 192504 | 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 | 192504 | 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 | 192504 | 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 | 192504 | 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 | 116625 | 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 | 116625 | 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 | 197997 | 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 | 197997 | 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 | 136742 | 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 | 136742 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 188284 | 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 | 188284 | 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 | 187130 | 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 | 187130 | 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 | 136761 | 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 | 136761 | 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 | 5601 | 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 | 5601 | 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 | 186751 | 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 | 186751 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 197827 | 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 | 197827 | 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 | 69397 | 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 | 69397 | 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 | 79850 | 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 | 79850 | 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 | 89295 | 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 | 89295 | 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 | 89296 | 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 | 89296 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 174731 | 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 | 174731 | 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 | 173666 | 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 | 173666 | 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 | 79937 | 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 | 79937 | 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 | 111686 | 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 | 111686 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 15593 | 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 | 15593 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 173679 | 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 | 173679 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 7894 | 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 | 7894 | 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 | 8078 | 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 | 8078 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 171974 | 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 | 171974 | 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 | 197875 | 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 | 197875 | 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 | 8190 | 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 | 8190 | 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 | 8079 | 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 | 8079 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 7830 | 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 | 7830 | 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 | 123396 | 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 | 123396 | 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 | 69395 | 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 | 69395 | 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 | 69394 | 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 | 69394 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 111684 | 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 | 111684 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 123503 | 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 | 123503 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 172837 | 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 | 172837 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 8162 | 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 | 8162 | 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 | 89299 | 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 | 89299 | 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 | 8022 | 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 | 8022 | 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 | 69396 | 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 | 69396 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 79936 | 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 | 79936 | 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 | 89298 | 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 | 89298 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 116631 | 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 | 116631 | 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 | 109644 | 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 | 109644 | 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 | 109635 | 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 | 109635 | 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 | 109637 | 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 | 109637 | 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 | 109636 | 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 | 109636 | 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 | 109658 | 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 | 109658 | 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 | 61211 | 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 | 61211 | 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 | 61210 | 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 | 61210 | 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 | 109639 | 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 | 109639 | 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 | 116610 | 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 | 116610 | 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 | 116616 | 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 | 116616 | 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 | 116619 | 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 | 116619 | 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 | 61232 | 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 | 61232 | 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 | 61200 | 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 | 61200 | 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 | 61202 | 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 | 61202 | 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 | 61223 | 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 | 61223 | 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 | 188153 | 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 | 188153 | 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 | 67706 | 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 | 67706 | 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 | 109648 | 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 | 109648 | 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 | 109651 | 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 | 109651 | 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 | 109655 | 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 | 109655 | 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 | 61208 | 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 | 61208 | 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 | 116637 | 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 | 116637 | 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 | 116640 | 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 | 116640 | 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 | 109636 | 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 | 109636 | 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 | 67759 | 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 | 67759 | 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 | 116516 | 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 | 116516 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 109652 | 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 | 109652 | 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 | 109653 | 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 | 109653 | 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 | 61190 | 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 | 61190 | 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 | 61221 | 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 | 61221 | 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 | 124531 | 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 | 124531 | 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 | 6511 | 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 | 6511 | 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 | 109310 | 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 | 109310 | 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 | 14796 | 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 | 14796 | 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 | 18687 | 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 | 18687 | 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 | 61203 | 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 | 61203 | 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 | 116634 | 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 | 116634 | 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 | 14521 | 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 | 14521 | 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 | 18751 | 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 | 18751 | 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 | 18730 | 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 | 18730 | 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 | 7210 | 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 | 7210 | 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 | 7235 | 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 | 7235 | 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 | 109645 | 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 | 109645 | 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 | 193918 | 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 | 193918 | 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 | 193918 | 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 | 61196 | 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 | 61196 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 18654 | 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 | 18654 | 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 | 19226 | 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 | 19226 | 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 | 72174 | 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 | 72174 | 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 | 96771 | 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 | 96771 | 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 | 168097 | 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 | 168097 | 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 | 109647 | 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 | 109647 | 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 | 109660 | 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 | 109660 | 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 | 109641 | 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 | 109641 | 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 | 109666 | 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 | 109666 | 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 | 140782 | 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 | 140782 | 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 | 6315 | 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 | 6315 | 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 | 115418 | 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 | 115418 | 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 | 109654 | 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 | 109654 | 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 | 19062 | 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 | 19062 | 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 | 72226 | 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 | 72226 | 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 | 116617 | 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 | 116617 | 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 | 19183 | 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 | 19183 | 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 | 109661 | 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 | 109661 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 67841 | 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 | 67841 | 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 | 109651 | 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 | 109651 | 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 | 6946 | 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 | 6946 | 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 | 66745 | 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 | 66745 | 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 | 113928 | 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 | 113928 | 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 | 132296 | 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 | 132296 | 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 | 6437 | 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 | 6437 | 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 | 6946 | 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 | 6946 | 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 | 8293 | 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 | 8293 | 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 | 19225 | 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 | 19225 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 140403 | 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 | 140403 | 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 | 7231 | 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 | 7231 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 19242 | 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 | 19242 | 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 | 109657 | 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 | 109657 | 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 | 61226 | 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 | 61226 | 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 | 116632 | 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 | 116632 | 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 | 116641 | 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 | 116641 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 19242 | 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 | 19242 | 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 | 117605 | 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 | 117605 | 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 | 18972 | 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 | 18972 | 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 | 116344 | 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 | 116344 | 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 | 116522 | 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 | 116522 | 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 | 67876 | 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 | 67876 | 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 | 67877 | 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 | 67877 | 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 | 193827 | 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 | 193827 | 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 | 193827 | 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 | 67870 | 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 | 67870 | 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 | 69572 | 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 | 69572 | 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 | 67878 | 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 | 67878 | 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 | 69526 | 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 | 69526 | 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 | 67868 | 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 | 67868 | 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 | 67870 | 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 | 67870 | 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 | 69559 | 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 | 69559 | 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 | 69571 | 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 | 69571 | 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 | 69524 | 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 | 69524 | 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 | 67869 | 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 | 67869 | 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 | 69569 | 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 | 69569 | 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 | 67867 | 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 | 67867 | 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 | 67867 | 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 | 67867 | 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 | 69395 | 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 | 69395 | 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 | 69560 | 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 | 69560 | 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 | 67875 | 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 | 67875 | 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 | 67868 | 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 | 67868 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 69394 | 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 | 69394 | 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 | 69561 | 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 | 69561 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 69396 | 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 | 69396 | 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 | 67869 | 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 | 67869 | 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 | 69567 | 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 | 69567 | 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 | 67874 | 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 | 67874 | 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 | 67874 | 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 | 67874 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 3744 | 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 | 3744 | 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 | 3744 | 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 | 69397 | 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 | 69397 | 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 | 69563 | 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 | 69563 | 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 | 69570 | 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 | 69570 | 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 | 69568 | 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 | 69568 | 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 | 67875 | 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 | 67875 | 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 | 69525 | 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 | 69525 | 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 | 2496 | 38 | None | -2 | 30 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | None | -2 | 30 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | None | -2 | 30 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | None | -2 | 30 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | None | -2 | 30 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1225 | 1443 | 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 | 1443 | 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 | 1443 | 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 | 1443 | 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 | 1443 | 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 | 172901 | 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 | 172901 | 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 | 818 | 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 | 58584 | 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 | 58584 | 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 | 75339 | 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 | 75339 | 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 | 109001 | 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 | 109001 | 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 | 45484 | 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 | 45484 | 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 | 203901 | 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 | 203901 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 45759 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 137 | 2 | 2 | 2 | 0.5 | NCC1CC1c1c[nH]cn1 | 10.1021/jm030905y | ||
CHEMBL153284 | 45759 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 137 | 2 | 2 | 2 | 0.5 | NCC1CC1c1c[nH]cn1 | 10.1021/jm030905y | ||
155524115 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
1236 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 6315 | 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 | 6315 | 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 | 7235 | 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 | 7235 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 203487 | 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 | 203487 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
24797956 | 109641 | 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 | 109641 | 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 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 8426 | 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 | 8426 | 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 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 183643 | 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 | 183643 | 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 | 183643 | 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 | 183643 | 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 | 183643 | 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 | 183643 | 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 | 194808 | 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 | 194808 | 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 | 194808 | 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 | 179345 | 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 | 179345 | 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 | 104734 | 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 | 104734 | 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 | 203533 | 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 | 203533 | 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 | 103691 | 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 | 103691 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 139708 | 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 | 139708 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 179188 | 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 | 179188 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 177778 | 0 | None | - | 1 | 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 | 177778 | 0 | None | - | 1 | 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 | 8673 | 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 | 8673 | 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 | 45669 | 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 | 45669 | 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 | 205253 | 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 | 205253 | 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 | 205253 | 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 | 8672 | 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 | 8672 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1204 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
127052293 | 139708 | 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 | 139708 | 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 | 95707 | 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 | 95707 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 179190 | 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 | 179190 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 108981 | 0 | None | - | 0 | 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 | 108981 | 0 | None | - | 0 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 180184 | 0 | None | - | 1 | 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 | 180184 | 0 | None | - | 1 | 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 | 178522 | 0 | None | - | 1 | 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 | 178522 | 0 | None | - | 1 | 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 | 203573 | 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 | 203573 | 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 | 203974 | 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 | 203974 | 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 | 189102 | 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 | 189102 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
58227373 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 139717 | 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 | 139717 | 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 | 1901 | 114 | None | -12 | 23 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -12 | 23 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -12 | 23 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -12 | 23 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -12 | 23 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -12 | 23 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
45269820 | 193679 | 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 | 193679 | 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 | 193679 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 43823 | 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 | 43823 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 8675 | 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 | 8675 | 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 | 169206 | 0 | None | - | 1 | 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 | 169206 | 0 | None | - | 1 | 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 | 168635 | 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 | 168635 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 139698 | 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 | 139698 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 139670 | 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 | 139670 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
46235428 | 6526 | 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 | 6526 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 103936 | 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 | 103936 | 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 | 139698 | 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 | 139698 | 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 | 187852 | 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 | 187852 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 8424 | 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 | 8424 | 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 | 139670 | 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 | 139670 | 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 | 186671 | 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 | 186671 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 178621 | 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 | 178621 | 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 | 156823 | 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 | 156823 | 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 | 188997 | 0 | None | - | 1 | 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 | 188997 | 0 | None | - | 1 | 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 | 109636 | 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 | 109636 | 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 | 28682 | 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 | 28682 | 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 | 45503 | 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 | 45503 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
90667229 | 108982 | 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 | 108982 | 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 | 95040 | 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 | 95040 | 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 | 110079 | 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 | 110079 | 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 | 8674 | 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 | 8674 | 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 | 178474 | 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 | 178474 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1984 | 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 | 1984 | 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 | 1984 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | ||
16718567 | 8078 | 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 | 8078 | 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 | 8330 | 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 | 8330 | 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 | 61000 | 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 | 61000 | 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 | 8161 | 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 | 8161 | 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 | 182529 | 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 | 182529 | 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 | 160418 | 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 | 160418 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 8162 | 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 | 8162 | 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 | 181577 | 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 | 181577 | 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 | 7895 | 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 | 7895 | 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 | 8079 | 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 | 8079 | 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 | 182363 | 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 | 182363 | 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 | 7888 | 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 | 7888 | 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 | 7889 | 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 | 7889 | 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 | 8191 | 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 | 8191 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 8020 | 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 | 8020 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 8262 | 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 | 8262 | 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 | 182185 | 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 | 182185 | 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 | 182852 | 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 | 182852 | 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 | 8110 | 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 | 8110 | 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 | 182137 | 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 | 182137 | 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 | 8293 | 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 | 8293 | 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 | 8160 | 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 | 8160 | 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 | 13962 | 16 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
CHEMBL1197564 | 13962 | 16 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
46884997 | 7639 | 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 | 7639 | 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 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
20889070 | 181290 | 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 | 181290 | 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 | 102468 | 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 | 102468 | 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 | 146826 | 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 | 146826 | 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 | 7915 | 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 | 7915 | 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 | 181278 | 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 | 181278 | 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 | 182408 | 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 | 182408 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 181771 | 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 | 181771 | 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 | 181658 | 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 | 181658 | 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 | 182326 | 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 | 182326 | 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 | 7894 | 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 | 7894 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 182656 | 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 | 182656 | 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 | 7632 | 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 | 7632 | 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 | 181946 | 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 | 181946 | 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 | 181486 | 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 | 181486 | 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 | 182245 | 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 | 182245 | 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 | 8286 | 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 | 8286 | 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 | 7830 | 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 | 7830 | 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 | 181268 | 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 | 181268 | 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 | 8019 | 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 | 8019 | 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 | 182491 | 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 | 182491 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 182992 | 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 | 182992 | 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 | 182866 | 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 | 182866 | 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 | 8263 | 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 | 8263 | 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 | 182705 | 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 | 182705 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 182112 | 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 | 182112 | 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 | 182549 | 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 | 182549 | 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 | 182455 | 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 | 182455 | 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 | 181906 | 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 | 181906 | 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 | 181620 | 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 | 181620 | 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 | 181494 | 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 | 181494 | 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 | 181070 | 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 | 181070 | 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 | 181997 | 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 | 181997 | 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 | 182222 | 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 | 182222 | 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 | 8253 | 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 | 8253 | 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 | 182128 | 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 | 182128 | 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 | 181562 | 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 | 181562 | 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 | 181222 | 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 | 181222 | 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 | 181468 | 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 | 181468 | 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 | 182758 | 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 | 182758 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 8190 | 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 | 8190 | 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 | 8045 | 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 | 8045 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 8022 | 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 | 8022 | 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 | 8331 | 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 | 8331 | 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 | 7640 | 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 | 7640 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 89298 | 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 | 89298 | 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 | 79856 | 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 | 79856 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 944 | 89 | None | -57 | 91 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
38 | 944 | 89 | None | -57 | 91 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
722 | 944 | 89 | None | -57 | 91 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
24994634 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 79856 | 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 | 79856 | 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 | 89299 | 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 | 89299 | 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 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
135398737 | 944 | 89 | None | -57 | 91 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
38 | 944 | 89 | None | -57 | 91 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
722 | 944 | 89 | None | -57 | 91 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
155513612 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
119570 | 3110 | 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 | 3110 | 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 | 3110 | 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 | 3110 | 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 | 3110 | 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 | 192160 | 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 | 192160 | 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 | 192160 | 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 | 192164 | 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 | 192164 | 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 | 192164 | 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 | 192177 | 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 | 192177 | 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 | 192177 | 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 | 192183 | 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 | 192183 | 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 | 192183 | 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 | 192199 | 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 | 192199 | 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 | 192199 | 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 | 192201 | 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 | 192201 | 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 | 192201 | 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 | 192203 | 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 | 192203 | 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 | 192203 | 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 | 192206 | 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 | 192206 | 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 | 192206 | 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 | 192207 | 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 | 192207 | 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 | 192207 | 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 | 192224 | 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 | 192224 | 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 | 192224 | 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 | 192233 | 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 | 192233 | 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 | 192233 | 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 | 192244 | 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 | 192244 | 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 | 192244 | 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 | 192246 | 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 | 192246 | 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 | 192246 | 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 | 192249 | 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 | 192249 | 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 | 192249 | 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 | 192263 | 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 | 192263 | 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 | 192263 | 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 | 192279 | 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 | 192279 | 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 | 192279 | 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 | 192280 | 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 | 192280 | 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 | 192280 | 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 | 192291 | 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 | 192291 | 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 | 192291 | 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 | 192293 | 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 | 192293 | 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 | 192293 | 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 | 192298 | 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 | 192298 | 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 | 192298 | 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 | 192304 | 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 | 192304 | 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 | 192304 | 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 | 192308 | 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 | 192308 | 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 | 192308 | 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 | 192322 | 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 | 192322 | 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 | 192322 | 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 | 192324 | 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 | 192324 | 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 | 192324 | 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 | 192366 | 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 | 192366 | 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 | 192366 | 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 | 192371 | 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 | 192371 | 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 | 192371 | 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 | 192377 | 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 | 192377 | 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 | 192377 | 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 | 192395 | 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 | 192395 | 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 | 192395 | 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 | 192404 | 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 | 192404 | 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 | 192404 | 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 | 192408 | 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 | 192408 | 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 | 192408 | 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 | 192412 | 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 | 192412 | 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 | 192412 | 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 | 192416 | 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 | 192416 | 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 | 192416 | 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 | 192417 | 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 | 192417 | 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 | 192417 | 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 | 192418 | 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 | 192418 | 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 | 192418 | 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 | 192424 | 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 | 192424 | 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 | 192424 | 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 | 192429 | 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 | 192429 | 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 | 192429 | 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 | 192433 | 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 | 192433 | 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 | 192433 | 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 | 192438 | 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 | 192438 | 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 | 192438 | 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 | 192439 | 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 | 192439 | 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 | 192439 | 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 | 192443 | 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 | 192443 | 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 | 192443 | 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 | 192446 | 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 | 192446 | 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 | 192446 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 944 | 89 | None | -57 | 91 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
38 | 944 | 89 | None | -57 | 91 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
722 | 944 | 89 | None | -57 | 91 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
71525679 | 89296 | 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 | 89296 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 79856 | 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 | 79856 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 69397 | 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 | 69397 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
156013896 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
156013896 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 944 | 89 | None | -57 | 91 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
38 | 944 | 89 | None | -57 | 91 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
722 | 944 | 89 | None | -57 | 91 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
11846300 | 79856 | 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 | 79856 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 89295 | 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 | 89295 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 61206 | 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 | 61206 | 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 | 67706 | 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 | 67706 | 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 | 61202 | 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 | 61202 | 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 | 6526 | 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 | 6526 | 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 | 61199 | 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 | 61199 | 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 | 67698 | 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 | 67698 | 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 | 8078 | 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 | 8078 | 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 | 67789 | 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 | 67789 | 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 | 116631 | 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 | 116631 | 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 | 67764 | 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 | 67764 | 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 | 61204 | 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 | 61204 | 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 | 67759 | 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 | 67759 | 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 | 109639 | 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 | 109639 | 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 | 1901 | 114 | None | -3 | 23 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | ||
1223 | 940 | 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 | 940 | 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 | 940 | 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 | 61223 | 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 | 61223 | 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 | 61233 | 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 | 61233 | 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 | 135934 | 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 | 135934 | 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 | 109636 | 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 | 109636 | 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 | 116618 | 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 | 116618 | 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 | 135934 | 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 | 135934 | 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 | 67769 | 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 | 67769 | 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 | 67791 | 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 | 67791 | 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 | 140304 | 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 | 140304 | 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 | 8896 | 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 | 8896 | 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 | 109637 | 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 | 109637 | 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 | 67705 | 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 | 67705 | 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 | 67707 | 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 | 67707 | 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 | 8896 | 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 | 8896 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 109636 | 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 | 109636 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 109635 | 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 | 109635 | 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 | 5813 | 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 | 5813 | 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 | 192575 | 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 | 192575 | 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 | 109654 | 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 | 109654 | 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 | 5813 | 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 | 5813 | 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 | 197875 | 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 | 197875 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 193827 | 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 | 193827 | 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 | 193827 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 67876 | 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 | 67876 | 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 | 109662 | 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 | 109662 | 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 | 109643 | 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 | 109643 | 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 | 7703 | 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 | 7703 | 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 | 186831 | 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 | 186831 | 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 | 67870 | 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 | 67870 | 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 | 111678 | 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 | 111678 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 4000 | 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 | 4000 | 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 | 4000 | 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 | 202829 | 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 | 202829 | 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 | 89216 | 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 | 89216 | 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 | 89241 | 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 | 89241 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 1978 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
13499360 | 1978 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
CHEMBL90019 | 1978 | 14 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | ||
53233802 | 61218 | 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 | 61218 | 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 | 75331 | 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 | 75331 | 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 | 197748 | 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 | 197748 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 194340 | 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 | 194340 | 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 | 194340 | 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 | 194341 | 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 | 194341 | 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 | 194341 | 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 | 194808 | 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 | 194808 | 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 | 194808 | 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 | 67787 | 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 | 67787 | 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 | 67794 | 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 | 67794 | 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 | 67797 | 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 | 67797 | 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 | 89301 | 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 | 89301 | 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 | 89295 | 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 | 89295 | 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 | 192504 | 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 | 192504 | 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 | 56186 | 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 | 56186 | 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 | 197827 | 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 | 197827 | 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 | 75447 | 4 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 167 | 6 | 2 | 2 | 1.3 | CCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
CHEMBL204843 | 75447 | 4 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 167 | 6 | 2 | 2 | 1.3 | CCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | ||
11521414 | 140766 | 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 | 140766 | 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 | 203533 | 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 | 203533 | 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 | 61196 | 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 | 61196 | 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 | 75328 | 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 | 75328 | 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 | 75336 | 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 | 75336 | 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 | 58579 | 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 | 58579 | 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 | 194528 | 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 | 194528 | 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 | 194528 | 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 | 109656 | 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 | 109656 | 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 | 75292 | 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 | 75292 | 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 | 66727 | 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 | 66727 | 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 | 5081 | 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 | 5081 | 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 | 89228 | 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 | 89228 | 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 | 89239 | 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 | 89239 | 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 | 18756 | 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 | 18756 | 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 | 75287 | 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 | 75287 | 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 | 75307 | 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 | 75307 | 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 | 103691 | 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 | 103691 | 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 | 6947 | 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 | 6947 | 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 | 98513 | 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 | 98513 | 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 | 116929 | 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 | 116929 | 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 | 89223 | 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 | 89223 | 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 | 116633 | 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 | 116633 | 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 | 69559 | 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 | 69559 | 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 | 79856 | 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 | 79856 | 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 | 95676 | 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 | 95676 | 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 | 138082 | 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 | 138082 | 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 | 67758 | 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 | 67758 | 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 | 173259 | 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 | 173259 | 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 | 178729 | 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 | 178729 | 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 | 186204 | 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 | 186204 | 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 | 173259 | 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 | 173259 | 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 | 186204 | 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 | 186204 | 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 | 86060 | 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 | 86060 | 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 | 5081 | 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 | 5081 | 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 | 67542 | 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 | 67542 | 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 | 67777 | 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 | 67777 | 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 | 139698 | 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 | 139698 | 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 | 62790 | 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 | 62790 | 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 | 62790 | 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 | 111698 | 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 | 111698 | 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 | 16244 | 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 | 16244 | 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 | 165934 | 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 | 165934 | 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 | 173667 | 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 | 173667 | 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 | 173667 | 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 | 173667 | 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 | 172339 | 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 | 172339 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 12292 | 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 | 12292 | 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 | 12292 | 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 | 12292 | 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 | 138187 | 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 | 138187 | 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 | 61219 | 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 | 61219 | 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 | 187005 | 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 | 187005 | 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 | 69385 | 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 | 69385 | 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 | 116614 | 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 | 116614 | 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 | 158104 | 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 | 158104 | 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 | 136892 | 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 | 136892 | 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 | 111679 | 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 | 111679 | 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 | 155570 | 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 | 155570 | 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 | 116516 | 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 | 116516 | 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 | 116516 | 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 | 116516 | 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 | 3785 | 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 | 3785 | 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 | 3785 | 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 | 3785 | 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 | 149796 | 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 | 149796 | 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 | 192504 | 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 | 192504 | 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 | 115413 | 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 | 115413 | 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 | 67792 | 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 | 67792 | 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 | 116516 | 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 | 116516 | 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 | 109647 | 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 | 109647 | 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 | 89291 | 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 | 89291 | 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 | 197520 | 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 | 197520 | 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 | 89288 | 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 | 89288 | 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 | 3626 | 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 | 3626 | 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 | 3626 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 96087 | 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 | 96087 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 160416 | 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 | 160416 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 69379 | 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 | 69379 | 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 | 58597 | 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 | 58597 | 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 | 185350 | 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 | 185350 | 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 | 185437 | 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 | 185437 | 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 | 175811 | 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 | 175811 | 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 | 175811 | 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 | 123400 | 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 | 123400 | 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 | 58574 | 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 | 58574 | 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 | 58594 | 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 | 58594 | 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 | 77594 | 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 | 77594 | 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 | 61220 | 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 | 61220 | 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 | 116620 | 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 | 116620 | 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 | 95894 | 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 | 95894 | 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 | 8007 | 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 | 8007 | 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 | 74666 | 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 | 74666 | 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 | 79708 | 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 | 79708 | 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 | 5422 | 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 | 5422 | 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 | 5422 | 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 | 116621 | 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 | 116621 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 111696 | 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 | 111696 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 3626 | 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 | 3626 | 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 | 3626 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 109653 | 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 | 109653 | 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 | 67765 | 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 | 67765 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | ||
155513612 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 89284 | 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 | 89284 | 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 | 89302 | 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 | 89302 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 187597 | 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 | 187597 | 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 | 187597 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1249 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 2027 | 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 | 2027 | 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 | 2027 | 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 | 168450 | 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 | 168450 | 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 | 168450 | 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 | 168450 | 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 | 168450 | 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 | 168450 | 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 | 2027 | 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 | 2027 | 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 | 2027 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | ||
11065080 | 19236 | 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 | 19236 | 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 | 75316 | 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 | 75316 | 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 | 188073 | 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 | 188073 | 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 | 197853 | 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 | 197853 | 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 | 4000 | 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 | 4000 | 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 | 4000 | 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 | 193238 | 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 | 193238 | 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 | 193238 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 192115 | 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 | 192115 | 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 | 139785 | 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 | 139785 | 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 | 67703 | 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 | 67703 | 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 | 200925 | 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 | 200925 | 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 | 174152 | 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 | 174152 | 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 | 192439 | 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 | 192439 | 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 | 192439 | 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 | 184255 | 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 | 184255 | 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 | 5722 | 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 | 5722 | 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 | 67779 | 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 | 67779 | 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 | 6203 | 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 | 6203 | 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 | 6203 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 6203 | 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 | 6203 | 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 | 6203 | 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 | 103936 | 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 | 103936 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 10283 | 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 | 10283 | 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 | 15860 | 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 | 15860 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 108783 | 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 | 108783 | 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 | 67801 | 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 | 67801 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 108783 | 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 | 108783 | 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 | 202769 | 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 | 202769 | 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 | 71268 | 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 | 71268 | 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 | 71268 | 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 | 75858 | 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 | 75858 | 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 | 76320 | 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 | 76320 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 108783 | 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 | 108783 | 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 | 93179 | 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 | 93179 | 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 | 89220 | 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 | 89220 | 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 | 89235 | 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 | 89235 | 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 | 203573 | 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 | 203573 | 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 | 5290 | 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 | 5290 | 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 | 56185 | 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 | 56185 | 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 | 192416 | 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 | 192416 | 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 | 192416 | 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 | 75293 | 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 | 75293 | 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 | 115412 | 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 | 115412 | 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 | 111680 | 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 | 111680 | 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 | 79937 | 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 | 79937 | 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 | 61224 | 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 | 61224 | 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 | 67869 | 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 | 67869 | 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 | 67869 | 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 | 67869 | 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 | 172022 | 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 | 172022 | 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 | 172022 | 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 | 172022 | 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 | 67775 | 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 | 67775 | 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 | 95665 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 321 | 3 | 0 | 6 | 2.6 | CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL260274 | 95665 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 321 | 3 | 0 | 6 | 2.6 | CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1 | 10.1021/jm7014217 | ||
164619208 | 185080 | 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 | 185080 | 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 | 5290 | 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 | 5290 | 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 | 69524 | 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 | 69524 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 67781 | 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 | 67781 | 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 | 175889 | 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 | 175889 | 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 | 175889 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | ||
16082856 | 80701 | 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 | 80701 | 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 | 16579 | 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 | 16579 | 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 | 158457 | 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 | 158457 | 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 | 116683 | 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 | 116683 | 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 | 104734 | 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 | 104734 | 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 | 95629 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 326 | 3 | 0 | 5 | 3.1 | CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1 | 10.1021/jm7014217 | ||
CHEMBL260043 | 95629 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 326 | 3 | 0 | 5 | 3.1 | CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1 | 10.1021/jm7014217 | ||
54584378 | 62829 | 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 | 62829 | 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 | 62829 | 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 | 185796 | 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 | 185796 | 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 | 61217 | 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 | 61217 | 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 | 62829 | 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 | 62829 | 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 | 62829 | 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 | 7292 | 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 | 7292 | 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 | 175464 | 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 | 175464 | 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 | 116624 | 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 | 116624 | 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 | 71269 | 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 | 71269 | 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 | 71269 | 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 | 172841 | 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 | 172841 | 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 | 172841 | 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 | 172841 | 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 | 184515 | 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 | 184515 | 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 | 185360 | 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 | 185360 | 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 | 185753 | 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 | 185753 | 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 | 56185 | 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 | 56185 | 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 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1247 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1375 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
774 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
CHEMBL90 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
DB05381 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
11609325 | 14361 | 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 | 14361 | 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 | 67753 | 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 | 67753 | 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 | 198333 | 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 | 198333 | 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 | 67782 | 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 | 67782 | 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 | 89296 | 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 | 89296 | 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 | 19183 | 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 | 19183 | 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 | 95691 | 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 | 95691 | 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 | 79609 | 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 | 79609 | 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 | 136833 | 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 | 136833 | 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 | 184001 | 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 | 184001 | 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 | 67845 | 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 | 67845 | 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 | 19226 | 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 | 19226 | 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 | 19226 | 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 | 19226 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 6315 | 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 | 6315 | 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 | 19226 | 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 | 19226 | 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 | 177665 | 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 | 177665 | 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 | 177665 | 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 | 186704 | 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 | 186704 | 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 | 1978 | 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 | 1978 | 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 | 1978 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | ||
137655927 | 158342 | 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 | 158342 | 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 | 89290 | 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 | 89290 | 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 | 61222 | 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 | 61222 | 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 | 188757 | 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 | 188757 | 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 | 58588 | 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 | 58588 | 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 | 86042 | 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 | 86042 | 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 | 86068 | 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 | 86068 | 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 | 177702 | 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 | 177702 | 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 | 177702 | 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 | 96572 | 0 | None | -19 | 4 | 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 | 96572 | 0 | None | -19 | 4 | 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 | 67541 | 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 | 67541 | 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 | 116607 | 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 | 116607 | 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 | 79570 | 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 | 79570 | 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 | 198177 | 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 | 198177 | 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 | 86580 | 12 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1039/C5MD00022J | ||
CHEMBL232421 | 86580 | 12 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1039/C5MD00022J | ||
127036980 | 136822 | 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 | 136822 | 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 | 67778 | 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 | 67778 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 198184 | 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 | 198184 | 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 | 5426 | 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 | 5426 | 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 | 5426 | 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 | 166139 | 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 | 166139 | 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 | 116335 | 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 | 116335 | 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 | 116335 | 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 | 116335 | 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 | 136094 | 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 | 136094 | 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 | 71281 | 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 | 71281 | 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 | 71281 | 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 | 111692 | 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 | 111692 | 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 | 192624 | 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 | 192624 | 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 | 155590 | 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 | 155590 | 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 | 192624 | 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 | 192624 | 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 | 185034 | 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 | 185034 | 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 | 61198 | 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 | 61198 | 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 | 198750 | 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 | 198750 | 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 | 198750 | 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 | 10282 | 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 | 10282 | 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 | 67805 | 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 | 67805 | 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 | 117605 | 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 | 117605 | 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 | 168097 | 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 | 168097 | 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 | 117605 | 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 | 117605 | 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 | 168097 | 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 | 168097 | 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 | 69393 | 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 | 69393 | 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 | 61216 | 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 | 61216 | 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 | 117605 | 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 | 117605 | 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 | 168097 | 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 | 168097 | 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 | 89299 | 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 | 89299 | 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 | 69397 | 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 | 69397 | 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 | 89287 | 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 | 89287 | 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 | 186898 | 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 | 186898 | 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 | 197522 | 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 | 197522 | 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 | 56189 | 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 | 56189 | 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 | 172837 | 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 | 172837 | 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 | 56189 | 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 | 56189 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | ||
1223 | 940 | 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 | 940 | 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 | 940 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 19242 | 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 | 19242 | 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 | 75335 | 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 | 75335 | 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 | 168097 | 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 | 168097 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 187597 | 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 | 187597 | 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 | 187597 | 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 | 193679 | 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 | 193679 | 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 | 193679 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 175921 | 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 | 175921 | 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 | 175921 | 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 | 187000 | 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 | 187000 | 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 | 198305 | 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 | 198305 | 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 | 7287 | 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 | 7287 | 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 | 197705 | 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 | 197705 | 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 | 136925 | 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 | 136925 | 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 | 178519 | 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 | 178519 | 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 | 58578 | 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 | 58578 | 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 | 6525 | 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 | 6525 | 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 | 62835 | 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 | 62835 | 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 | 62835 | 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 | 176300 | 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 | 176300 | 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 | 178729 | 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 | 178729 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 115419 | 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 | 115419 | 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 | 166873 | 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 | 166873 | 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 | 62835 | 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 | 62835 | 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 | 62835 | 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 | 62842 | 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 | 62842 | 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 | 62842 | 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 | 139785 | 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 | 139785 | 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 | 62842 | 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 | 62842 | 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 | 62842 | 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 | 67802 | 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 | 67802 | 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 | 67767 | 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 | 67767 | 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 | 67784 | 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 | 67784 | 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 | 198218 | 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 | 198218 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 168450 | 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 | 168450 | 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 | 74670 | 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 | 74670 | 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 | 140014 | 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 | 140014 | 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 | 75288 | 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 | 75288 | 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 | 75294 | 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 | 75294 | 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 | 194509 | 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 | 194509 | 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 | 194509 | 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 | 194556 | 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 | 194556 | 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 | 1901 | 114 | None | -3 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
127050019 | 140234 | 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 | 140234 | 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 | 136761 | 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 | 136761 | 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 | 75326 | 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 | 75326 | 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 | 95848 | 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 | 95848 | 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 | 67535 | 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 | 67535 | 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 | 35109 | 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 | 35109 | 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 | 75324 | 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 | 75324 | 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 | 109665 | 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 | 109665 | 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 | 67867 | 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 | 67867 | 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 | 69397 | 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 | 69397 | 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 | 187597 | 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 | 187597 | 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 | 187597 | 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 | 115414 | 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 | 115414 | 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 | 116615 | 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 | 116615 | 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 | 67867 | 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 | 67867 | 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 | 67842 | 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 | 67842 | 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 | 71297 | 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 | 71297 | 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 | 71297 | 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 | 89292 | 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 | 89292 | 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 | 198222 | 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 | 198222 | 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 | 171974 | 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 | 171974 | 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 | 67975 | 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 | 67975 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 61214 | 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 | 61214 | 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 | 6172 | 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 | 6172 | 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 | 6172 | 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 | 91438 | 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 | 91438 | 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 | 65298 | 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 | 65298 | 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 | 155474 | 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 | 155474 | 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 | 185891 | 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 | 185891 | 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 | 175578 | 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 | 175578 | 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 | 95532 | 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 | 95532 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 16575 | 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 | 16575 | 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 | 19183 | 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 | 19183 | 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 | 69388 | 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 | 69388 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 19183 | 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 | 19183 | 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 | 197747 | 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 | 197747 | 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 | 183979 | 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 | 183979 | 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 | 86057 | 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 | 86057 | 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 | 136752 | 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 | 136752 | 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 | 179927 | 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 | 179927 | 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 | 184133 | 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 | 184133 | 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 | 157278 | 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 | 157278 | 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 | 69397 | 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 | 69397 | 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 | 111682 | 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 | 111682 | 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 | 7288 | 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 | 7288 | 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 | 116612 | 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 | 116612 | 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 | 79682 | 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 | 79682 | 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 | 197708 | 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 | 197708 | 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 | 944 | 89 | None | -57 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
38 | 944 | 89 | None | -57 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
722 | 944 | 89 | None | -57 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | ||
10575070 | 67539 | 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 | 67539 | 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 | 185280 | 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 | 185280 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 123399 | 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 | 123399 | 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 | 111697 | 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 | 111697 | 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 | 67878 | 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 | 67878 | 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 | 198222 | 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 | 198222 | 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 | 67772 | 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 | 67772 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 15321 | 20 | None | -1 | 6 | 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 | 15321 | 20 | None | -1 | 6 | 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 | 139772 | 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 | 139772 | 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 | 67774 | 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 | 67774 | 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 | 58575 | 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 | 58575 | 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 | 176548 | 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 | 176548 | 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 | 58577 | 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 | 58577 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 198135 | 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 | 198135 | 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 | 173679 | 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 | 173679 | 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 | 176042 | 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 | 176042 | 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 | 176042 | 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 | 186898 | 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 | 186898 | 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 | 173661 | 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 | 173661 | 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 | 192670 | 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 | 192670 | 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 | 173661 | 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 | 173661 | 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 | 192670 | 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 | 192670 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 212225 | 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 | 61194 | 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 | 61194 | 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 | 157196 | 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 | 157196 | 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 | 116344 | 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 | 116344 | 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 | 116344 | 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 | 116344 | 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 | 69389 | 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 | 69389 | 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 | 115418 | 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 | 115418 | 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 | 115418 | 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 | 115418 | 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 | 67711 | 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 | 67711 | 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 | 67770 | 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 | 67770 | 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 | 113928 | 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 | 113928 | 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 | 116344 | 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 | 116344 | 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 | 8293 | 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 | 8293 | 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 | 197702 | 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 | 197702 | 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 | 89298 | 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 | 89298 | 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 | 56187 | 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 | 56187 | 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 | 56188 | 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 | 56188 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 138732 | 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 | 138732 | 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 | 186704 | 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 | 186704 | 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 | 75298 | 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 | 75298 | 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 | 75338 | 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 | 75338 | 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 | 116344 | 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 | 116344 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 138751 | 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 | 138751 | 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 | 175755 | 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 | 175755 | 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 | 175755 | 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 | 183872 | 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 | 183872 | 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 | 184505 | 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 | 184505 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 177671 | 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 | 177671 | 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 | 177671 | 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 | 136942 | 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 | 136942 | 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 | 67828 | 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 | 67828 | 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 | 69560 | 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 | 69560 | 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 | 56187 | 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 | 56187 | 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 | 66565 | 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 | 66565 | 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 | 5138 | 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 | 5138 | 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 | 944 | 89 | None | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
38 | 944 | 89 | None | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
722 | 944 | 89 | None | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | ||
11572015 | 74680 | 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 | 74680 | 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 | 75696 | 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 | 75696 | 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 | 64792 | 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 | 64792 | 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 | 19183 | 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 | 19183 | 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 | 186831 | 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 | 186831 | 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 | 75318 | 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 | 75318 | 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 | 95571 | 4 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.7 | Cc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
CHEMBL259745 | 95571 | 4 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.7 | Cc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
155550732 | 176055 | 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 | 176055 | 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 | 176055 | 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 | 2464 | 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 | 2464 | 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 | 2464 | 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 | 2464 | 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 | 2464 | 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 | 2464 | 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 | 89231 | 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 | 89231 | 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 | 69523 | 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 | 69523 | 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 | 75284 | 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 | 75284 | 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 | 75296 | 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 | 75296 | 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 | 66606 | 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 | 66606 | 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 | 5218 | 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 | 5218 | 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 | 109141 | 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 | 109141 | 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 | 136993 | 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 | 136993 | 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 | 183961 | 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 | 183961 | 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 | 61195 | 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 | 61195 | 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 | 61232 | 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 | 61232 | 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 | 115421 | 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 | 115421 | 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 | 116610 | 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 | 116610 | 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 | 116623 | 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 | 116623 | 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 | 116628 | 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 | 116628 | 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 | 8079 | 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 | 8079 | 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 | 67790 | 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 | 67790 | 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 | 67796 | 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 | 67796 | 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 | 109659 | 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 | 109659 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 109658 | 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 | 109658 | 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 | 67708 | 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 | 67708 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 7703 | 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 | 7703 | 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 | 5523 | 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 | 5523 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 159040 | 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 | 159040 | 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 | 109644 | 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 | 109644 | 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 | 186671 | 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 | 186671 | 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 | 6438 | 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 | 6438 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 109633 | 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 | 109633 | 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 | 109636 | 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 | 109636 | 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 | 67788 | 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 | 67788 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 13962 | 16 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
CHEMBL1197564 | 13962 | 16 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | ||
46890589 | 6944 | 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 | 6944 | 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 | 67977 | 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 | 67977 | 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 | 67978 | 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 | 67978 | 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 | 67983 | 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 | 67983 | 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 | 69521 | 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 | 69521 | 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 | 117937 | 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 | 117937 | 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 | 111684 | 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 | 111684 | 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 | 176062 | 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 | 176062 | 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 | 176062 | 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 | 175898 | 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 | 175898 | 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 | 175898 | 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 | 95864 | 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 | 95864 | 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 | 201954 | 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 | 201954 | 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 | 109820 | 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 | 109820 | 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 | 95864 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1021/jm7014217 | ||
CHEMBL261320 | 95864 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1021/jm7014217 | ||
10879463 | 5218 | 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 | 5218 | 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 | 200459 | 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 | 200459 | 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 | 198494 | 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 | 198494 | 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 | 58596 | 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 | 58596 | 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 | 69566 | 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 | 69566 | 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 | 148597 | 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 | 148597 | 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 | 109651 | 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 | 109651 | 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 | 116605 | 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 | 116605 | 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 | 109651 | 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 | 109651 | 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 | 109652 | 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 | 109652 | 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 | 67756 | 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 | 67756 | 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 | 67761 | 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 | 67761 | 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 | 67776 | 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 | 67776 | 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 | 72226 | 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 | 72226 | 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 | 58590 | 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 | 58590 | 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 | 89293 | 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 | 89293 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -21379 | 20 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
57399107 | 67872 | 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 | 67872 | 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 | 67872 | 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 | 67872 | 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 | 67872 | 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 | 67872 | 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 | 67873 | 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 | 67873 | 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 | 67873 | 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 | 67873 | 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 | 192164 | 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 | 192164 | 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 | 192164 | 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 | 179927 | 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 | 179927 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
164610824 | 184527 | 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 | 184527 | 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 | 109141 | 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 | 109141 | 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 | 158979 | 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 | 158979 | 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 | 10801 | 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 | 10801 | 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 | 116606 | 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 | 116606 | 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 | 1901 | 114 | None | -3 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
155567030 | 175843 | 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 | 175843 | 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 | 175843 | 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 | 155182 | 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 | 155182 | 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 | 58595 | 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 | 58595 | 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 | 108081 | 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 | 108081 | 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 | 10286 | 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 | 10286 | 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 | 139708 | 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 | 139708 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 83814 | 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 | 83814 | 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 | 200692 | 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 | 200692 | 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 | 69381 | 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 | 69381 | 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 | 173659 | 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 | 173659 | 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 | 173659 | 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 | 173659 | 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 | 197828 | 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 | 197828 | 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 | 5138 | 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 | 5138 | 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 | 123502 | 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 | 123502 | 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 | 67536 | 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 | 67536 | 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 | 184678 | 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 | 184678 | 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 | 6459 | 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 | 6459 | 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 | 71285 | 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 | 71285 | 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 | 71285 | 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 | 95585 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 3 | 0 | 5 | 1.8 | CCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
CHEMBL259839 | 95585 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 3 | 0 | 5 | 1.8 | CCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
24278976 | 95804 | 56 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2nc3ccccc3nc2Cl)CC1 | 10.1021/jm7014217 | ||
CHEMBL261010 | 95804 | 56 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2nc3ccccc3nc2Cl)CC1 | 10.1021/jm7014217 | ||
24854704 | 95688 | 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 | 95688 | 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 | 18972 | 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 | 18972 | 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 | 18972 | 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 | 18972 | 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 | 69397 | 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 | 69397 | 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 | 14796 | 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 | 14796 | 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 | 18972 | 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 | 18972 | 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 | 198226 | 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 | 198226 | 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 | 67980 | 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 | 67980 | 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 | 143565 | 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 | 143565 | 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 | 144241 | 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 | 144241 | 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 | 7162 | 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 | 7162 | 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 | 69382 | 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 | 69382 | 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 | 192233 | 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 | 192233 | 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 | 192233 | 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 | 95776 | 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 | 95776 | 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 | 95851 | 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 | 95851 | 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 | 184550 | 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 | 184550 | 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 | 67984 | 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 | 67984 | 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 | 111690 | 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 | 111690 | 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 | 111690 | 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 | 111690 | 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 | 198492 | 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 | 198492 | 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 | 186355 | 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 | 186355 | 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 | 111687 | 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 | 111687 | 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 | 69387 | 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 | 69387 | 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 | 61230 | 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 | 61230 | 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 | 173666 | 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 | 173666 | 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 | 205303 | 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 | 205303 | 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 | 139670 | 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 | 139670 | 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 | 116638 | 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 | 116638 | 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 | 68689 | 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 | 68689 | 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 | 150119 | 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 | 150119 | 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 | 78647 | 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 | 78647 | 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 | 1984 | 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 | 1984 | 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 | 1984 | 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 | 123402 | 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 | 123402 | 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 | 173083 | 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 | 173083 | 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 | 198185 | 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 | 198185 | 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 | 11160 | 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 | 11160 | 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 | 11160 | 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 | 61207 | 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 | 61207 | 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 | 198226 | 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 | 198226 | 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 | 109638 | 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 | 109638 | 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 | 109645 | 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 | 109645 | 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 | 67799 | 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 | 67799 | 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 | 124531 | 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 | 124531 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 103718 | 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 | 103718 | 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 | 202776 | 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 | 202776 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
71681476 | 89226 | 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 | 89226 | 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 | 19183 | 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 | 19183 | 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 | 18972 | 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 | 18972 | 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 | 19183 | 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 | 19183 | 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 | 75295 | 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 | 75295 | 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 | 89300 | 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 | 89300 | 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 | 79856 | 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 | 79856 | 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 | 193380 | 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 | 193380 | 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 | 193380 | 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 | 193801 | 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 | 193801 | 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 | 193831 | 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 | 193831 | 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 | 193831 | 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 | 193918 | 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 | 193918 | 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 | 193918 | 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 | 194366 | 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 | 194366 | 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 | 194366 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1274 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 117605 | 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 | 117605 | 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 | 188073 | 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 | 188073 | 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 | 139772 | 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 | 139772 | 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 | 137355 | 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 | 137355 | 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 | 137355 | 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 | 137355 | 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 | 67825 | 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 | 67825 | 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 | 198266 | 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 | 198266 | 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 | 1984 | 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 | 1984 | 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 | 1984 | 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 | 1986 | 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 | 1986 | 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 | 1986 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 1986 | 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 | 1986 | 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 | 1986 | 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 | 12661 | 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 | 12661 | 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 | 12661 | 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 | 75281 | 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 | 75281 | 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 | 75317 | 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 | 75317 | 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 | 75323 | 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 | 75323 | 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 | 75337 | 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 | 75337 | 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 | 58602 | 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 | 58602 | 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 | 56183 | 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 | 56183 | 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 | 56183 | 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 | 108872 | 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 | 108872 | 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 | 89233 | 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 | 89233 | 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 | 75280 | 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 | 75280 | 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 | 75305 | 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 | 75305 | 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 | 155776 | 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 | 155776 | 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 | 108872 | 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 | 108872 | 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 | 66370 | 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 | 66370 | 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 | 66457 | 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 | 66457 | 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 | 124997 | 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 | 124997 | 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 | 139591 | 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 | 139591 | 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 | 86063 | 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 | 86063 | 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 | 123406 | 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 | 123406 | 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 | 123396 | 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 | 123396 | 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 | 61192 | 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 | 61192 | 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 | 109642 | 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 | 109642 | 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 | 186354 | 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 | 186354 | 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 | 186354 | 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 | 186354 | 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 | 123404 | 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 | 123404 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 6511 | 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 | 6511 | 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 | 83847 | 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 | 83847 | 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 | 69567 | 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 | 69567 | 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 | 83847 | 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 | 83847 | 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 | 141445 | 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 | 141445 | 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 | 67757 | 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 | 67757 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 95686 | 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 | 95686 | 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 | 173666 | 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 | 173666 | 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 | 199290 | 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 | 199290 | 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 | 18664 | 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 | 18664 | 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 | 175750 | 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 | 175750 | 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 | 175750 | 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 | 185501 | 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 | 185501 | 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 | 136964 | 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 | 136964 | 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 | 86070 | 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 | 86070 | 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 | 123403 | 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 | 123403 | 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 | 174804 | 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 | 174804 | 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 | 86067 | 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 | 86067 | 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 | 69561 | 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 | 69561 | 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 | 136338 | 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 | 136338 | 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 | 188496 | 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 | 188496 | 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 | 200911 | 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 | 200911 | 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 | 159624 | 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 | 159624 | 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 | 175812 | 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 | 175812 | 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 | 175812 | 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 | 95775 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.4 | CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL260850 | 95775 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.4 | CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | ||
164616851 | 184367 | 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 | 184367 | 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 | 158806 | 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 | 158806 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 148031 | 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 | 148031 | 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 | 96771 | 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 | 96771 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 89298 | 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 | 89298 | 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 | 77655 | 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 | 77655 | 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 | 67831 | 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 | 67831 | 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 | 58586 | 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 | 58586 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 67540 | 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 | 67540 | 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 | 172693 | 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 | 172693 | 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 | 61193 | 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 | 61193 | 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 | 84419 | 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 | 84419 | 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 | 109657 | 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 | 109657 | 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 | 79856 | 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 | 79856 | 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 | 79856 | 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 | 79856 | 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 | 178701 | 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 | 178701 | 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 | 178701 | 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 | 178701 | 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 | 177745 | 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 | 177745 | 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 | 177745 | 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 | 198261 | 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 | 198261 | 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 | 172274 | 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 | 172274 | 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 | 140403 | 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 | 140403 | 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 | 79442 | 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 | 79442 | 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 | 79442 | 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 | 69391 | 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 | 69391 | 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 | 61201 | 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 | 61201 | 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 | 67768 | 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 | 67768 | 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 | 89299 | 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 | 89299 | 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 | 71283 | 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 | 71283 | 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 | 71283 | 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 | 139715 | 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 | 139715 | 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 | 5904 | 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 | 5904 | 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 | 5904 | 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 | 178770 | 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 | 178770 | 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 | 198371 | 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 | 198371 | 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 | 68679 | 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 | 68679 | 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 | 86056 | 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 | 86056 | 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 | 172897 | 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 | 172897 | 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 | 177669 | 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 | 177669 | 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 | 177669 | 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 | 154656 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL402470 | 154656 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
24854702 | 95611 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL259955 | 95611 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 | 10.1021/jm7014217 | ||
24853592 | 155616 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 7 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL406380 | 155616 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 7 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
122193104 | 123370 | 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 | 123370 | 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 | 155731 | 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 | 155731 | 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 | 61197 | 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 | 61197 | 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 | 61200 | 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 | 61200 | 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 | 61208 | 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 | 61208 | 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 | 61229 | 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 | 61229 | 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 | 116626 | 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 | 116626 | 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 | 72174 | 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 | 72174 | 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 | 61200 | 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 | 61200 | 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 | 61232 | 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 | 61232 | 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 | 89243 | 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 | 89243 | 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 | 186831 | 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 | 186831 | 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 | 7664 | 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 | 7664 | 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 | 19242 | 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 | 19242 | 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 | 7235 | 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 | 7235 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 89285 | 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 | 89285 | 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 | 190792 | 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 | 190792 | 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 | 140318 | 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 | 140318 | 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 | 67712 | 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 | 67712 | 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 | 67785 | 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 | 67785 | 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 | 192116 | 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 | 192116 | 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 | 192116 | 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 | 192116 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 67754 | 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 | 67754 | 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 | 192504 | 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 | 192504 | 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 | 175877 | 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 | 175877 | 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 | 175877 | 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 | 187854 | 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 | 187854 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 188073 | 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 | 188073 | 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 | 109648 | 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 | 109648 | 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 | 67763 | 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 | 67763 | 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 | 140782 | 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 | 140782 | 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 | 89283 | 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 | 89283 | 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 | 77598 | 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 | 77598 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 18756 | 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 | 18756 | 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 | 18756 | 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 | 18756 | 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 | 157424 | 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 | 157424 | 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 | 155435 | 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 | 155435 | 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 | 184870 | 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 | 184870 | 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 | 185487 | 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 | 185487 | 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 | 185983 | 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 | 185983 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 175810 | 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 | 175810 | 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 | 175810 | 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 | 199342 | 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 | 199342 | 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 | 138690 | 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 | 138690 | 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 | 19062 | 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 | 19062 | 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 | 19062 | 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 | 19062 | 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 | 187818 | 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 | 187818 | 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 | 67798 | 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 | 67798 | 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 | 19062 | 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 | 19062 | 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 | 138528 | 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 | 138528 | 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 | 56188 | 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 | 56188 | 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 | 18751 | 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 | 18751 | 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 | 205253 | 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 | 205253 | 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 | 205253 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 205253 | 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 | 205253 | 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 | 205253 | 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 | 89218 | 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 | 89218 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 71286 | 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 | 71286 | 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 | 71286 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 75285 | 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 | 75285 | 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 | 75286 | 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 | 75286 | 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 | 75319 | 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 | 75319 | 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 | 75334 | 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 | 75334 | 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 | 117605 | 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 | 117605 | 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 | 194336 | 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 | 194336 | 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 | 194336 | 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 | 16580 | 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 | 16580 | 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 | 156900 | 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 | 156900 | 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 | 10803 | 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 | 10803 | 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 | 69523 | 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 | 69523 | 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 | 56186 | 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 | 56186 | 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 | 1396 | 27 | None | -15 | 6 | 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 | 1396 | 27 | None | -15 | 6 | 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 | 1396 | 27 | None | -15 | 6 | 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 | 1396 | 27 | None | -15 | 6 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 89221 | 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 | 89221 | 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 | 168450 | 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 | 168450 | 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 | 74669 | 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 | 74669 | 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 | 75190 | 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 | 75190 | 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 | 75221 | 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 | 75221 | 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 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm060880d | ||
4060730 | 19183 | 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 | 19183 | 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 | 75290 | 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 | 75290 | 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 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1039/C2MD20212C | ||
4563101 | 66425 | 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 | 66425 | 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 | 89222 | 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 | 89222 | 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 | 89230 | 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 | 89230 | 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 | 12663 | 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 | 12663 | 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 | 12663 | 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 | 136949 | 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 | 136949 | 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 | 185885 | 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 | 185885 | 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 | 69522 | 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 | 69522 | 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 | 166687 | 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 | 166687 | 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 | 18730 | 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 | 18730 | 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 | 18730 | 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 | 18730 | 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 | 69380 | 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 | 69380 | 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 | 98764 | 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 | 98764 | 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 | 7304 | 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 | 7304 | 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 | 18730 | 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 | 18730 | 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 | 67988 | 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 | 67988 | 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 | 115415 | 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 | 115415 | 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 | 67835 | 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 | 67835 | 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 | 95872 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL261363 | 95872 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | ||
11738520 | 138736 | 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 | 138736 | 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 | 138736 | 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 | 173294 | 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 | 173294 | 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 | 185140 | 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 | 185140 | 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 | 183801 | 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 | 183801 | 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 | 67974 | 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 | 67974 | 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 | 188279 | 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 | 188279 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 109646 | 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 | 109646 | 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 | 86071 | 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 | 86071 | 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 | 116617 | 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 | 116617 | 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 | 67824 | 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 | 67824 | 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 | 67837 | 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 | 67837 | 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 | 66745 | 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 | 66745 | 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 | 197804 | 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 | 197804 | 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 | 177697 | 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 | 177697 | 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 | 177697 | 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 | 188491 | 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 | 188491 | 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 | 188491 | 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 | 188491 | 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 | 86072 | 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 | 86072 | 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 | 155151 | 10 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 2 | 0 | 5 | 1.4 | COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
CHEMBL405044 | 155151 | 10 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 2 | 0 | 5 | 1.4 | COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | ||
25130576 | 187043 | 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 | 187043 | 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 | 187043 | 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 | 187043 | 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 | 123294 | 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 | 123294 | 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 | 192408 | 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 | 192408 | 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 | 192408 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 187004 | 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 | 200415 | 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 | 200415 | 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 | 200472 | 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 | 200472 | 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 | 67833 | 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 | 67833 | 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 | 185566 | 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 | 185566 | 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 | 67973 | 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 | 67973 | 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 | 187004 | 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 | 187004 | 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 | 67838 | 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 | 67838 | 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 | 140403 | 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 | 140403 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 89286 | 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 | 89286 | 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 | 188437 | 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 | 188437 | 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 | 188437 | 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 | 188437 | 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 | 139781 | 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 | 139781 | 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 | 198224 | 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 | 198224 | 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 | 198043 | 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 | 198043 | 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 | 123401 | 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 | 123401 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 140237 | 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 | 140237 | 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 | 109664 | 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 | 109664 | 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 | 61226 | 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 | 61226 | 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 | 109640 | 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 | 109640 | 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 | 109655 | 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 | 109655 | 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 | 175667 | 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 | 175667 | 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 | 175667 | 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 | 16574 | 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 | 16574 | 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 | 86037 | 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 | 86037 | 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 | 67827 | 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 | 67827 | 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 | 186267 | 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 | 186267 | 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 | 95677 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 3 | 0 | 5 | 3.5 | CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL260388 | 95677 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 3 | 0 | 5 | 3.5 | CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 | 10.1021/jm7014217 | ||
25178939 | 186267 | 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 | 186267 | 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 | 184320 | 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 | 184320 | 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 | 136834 | 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 | 136834 | 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 | 86061 | 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 | 86061 | 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 | 116639 | 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 | 116639 | 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 | 67840 | 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 | 67840 | 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 | 79936 | 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 | 79936 | 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 | 172855 | 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 | 172855 | 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 | 172855 | 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 | 172855 | 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 | 184615 | 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 | 184615 | 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 | 86073 | 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 | 86073 | 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 | 123504 | 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 | 123504 | 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 | 67844 | 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 | 67844 | 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 | 111685 | 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 | 111685 | 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 | 62794 | 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 | 62794 | 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 | 62794 | 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 | 123405 | 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 | 123405 | 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 | 19255 | 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 | 19255 | 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 | 19255 | 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 | 19255 | 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 | 19183 | 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 | 19183 | 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 | 172854 | 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 | 172854 | 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 | 172854 | 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 | 172854 | 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 | 141400 | 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 | 141400 | 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 | 71256 | 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 | 71256 | 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 | 71256 | 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 | 58601 | 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 | 58601 | 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 | 158763 | 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 | 158763 | 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 | 62794 | 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 | 62794 | 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 | 62794 | 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 | 116635 | 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 | 116635 | 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 | 59883 | 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 | 59883 | 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 | 59883 | 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 | 109634 | 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 | 109634 | 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 | 67795 | 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 | 67795 | 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 | 186598 | 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 | 186598 | 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 | 186598 | 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 | 186598 | 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 | 15321 | 20 | None | -1 | 6 | 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 | 15321 | 20 | None | -1 | 6 | 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 | 89215 | 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 | 89215 | 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 | 89232 | 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 | 89232 | 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 | 3997 | 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 | 3997 | 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 | 3997 | 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 | 74098 | 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 | 74098 | 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 | 138962 | 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 | 138962 | 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 | 75308 | 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 | 75308 | 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 | 75320 | 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 | 75320 | 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 | 75327 | 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 | 75327 | 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 | 75340 | 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 | 75340 | 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 | 95902 | 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 | 95902 | 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 | 186598 | 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 | 186598 | 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 | 95902 | 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 | 95902 | 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 | 194486 | 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 | 194486 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 86038 | 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 | 86038 | 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 | 108090 | 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 | 108090 | 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 | 89229 | 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 | 89229 | 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 | 75669 | 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 | 75669 | 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 | 12898 | 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 | 12898 | 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 | 12898 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 75310 | 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 | 75310 | 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 | 75321 | 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 | 75321 | 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 | 75325 | 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 | 75325 | 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 | 75330 | 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 | 75330 | 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 | 75339 | 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 | 75339 | 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 | 2051 | 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 | 2051 | 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 | 2051 | 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 | 12693 | 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 | 12693 | 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 | 12693 | 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 | 75282 | 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 | 75282 | 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 | 155615 | 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 | 155615 | 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 | 166529 | 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 | 166529 | 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 | 158650 | 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 | 158650 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 145397 | 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 | 145397 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 69395 | 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 | 69395 | 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 | 197875 | 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 | 197875 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 61210 | 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 | 61210 | 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 | 116616 | 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 | 116616 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 197704 | 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 | 197704 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 186598 | 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 | 186598 | 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 | 197827 | 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 | 197827 | 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 | 186598 | 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 | 186598 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 67877 | 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 | 67877 | 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 | 69568 | 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 | 69568 | 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 | 69570 | 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 | 69570 | 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 | 187854 | 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 | 187854 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 187854 | 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 | 187854 | 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 | 8293 | 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 | 8293 | 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 | 67755 | 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 | 67755 | 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 | 192115 | 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 | 192115 | 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 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 197875 | 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 | 197875 | 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 | 61228 | 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 | 61228 | 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 | 67786 | 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 | 67786 | 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 | 132296 | 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 | 132296 | 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 | 156425 | 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 | 156425 | 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 | 86039 | 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 | 86039 | 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 | 192304 | 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 | 192304 | 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 | 192304 | 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 | 178702 | 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 | 178702 | 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 | 178702 | 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 | 178702 | 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 | 111681 | 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 | 111681 | 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 | 187043 | 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 | 187043 | 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 | 187043 | 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 | 187043 | 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 | 71668 | 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 | 71668 | 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 | 67832 | 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 | 67832 | 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 | 62817 | 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 | 62817 | 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 | 62817 | 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 | 198494 | 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 | 198494 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
46890590 | 6946 | 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 | 6946 | 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 | 67826 | 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 | 67826 | 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 | 71255 | 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 | 71255 | 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 | 71255 | 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 | 172837 | 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 | 172837 | 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 | 197997 | 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 | 197997 | 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 | 203463 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
CHEMBL7828 | 203463 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
137647794 | 157438 | 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 | 157438 | 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 | 62817 | 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 | 62817 | 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 | 62817 | 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 | 123397 | 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 | 123397 | 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 | 111689 | 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 | 111689 | 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 | 5818 | 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 | 5818 | 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 | 5818 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 136757 | 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 | 136757 | 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 | 184795 | 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 | 184795 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 112887 | 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 | 112887 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 109666 | 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 | 109666 | 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 | 67771 | 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 | 67771 | 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 | 111688 | 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 | 111688 | 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 | 186303 | 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 | 186303 | 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 | 108090 | 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 | 108090 | 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 | 95612 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL259956 | 95612 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 | 10.1021/jm7014217 | ||
54586765 | 61213 | 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 | 61213 | 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 | 98764 | 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 | 98764 | 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 | 67773 | 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 | 67773 | 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 | 86064 | 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 | 86064 | 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 | 67829 | 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 | 67829 | 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 | 175909 | 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 | 175909 | 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 | 175909 | 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 | 58598 | 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 | 58598 | 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 | 58599 | 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 | 58599 | 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 | 192395 | 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 | 192395 | 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 | 192395 | 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 | 62836 | 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 | 62836 | 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 | 62836 | 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 | 184135 | 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 | 184135 | 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 | 62836 | 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 | 62836 | 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 | 62836 | 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 | 116629 | 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 | 116629 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 78051 | 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 | 78051 | 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 | 115410 | 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 | 115410 | 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 | 58589 | 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 | 58589 | 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 | 203901 | 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 | 203901 | 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 | 2316 | 44 | None | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
205 | 2316 | 44 | None | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
3964 | 2316 | 44 | None | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
CHEMBL831 | 2316 | 44 | None | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
DB00408 | 2316 | 44 | None | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
164609493 | 183854 | 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 | 183854 | 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 | 86066 | 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 | 86066 | 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 | 18654 | 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 | 18654 | 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 | 18654 | 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 | 18654 | 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 | 197997 | 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 | 197997 | 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 | 83040 | 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 | 83040 | 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 | 67710 | 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 | 67710 | 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 | 18654 | 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 | 18654 | 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 | 115416 | 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 | 115416 | 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 | 95613 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 | 10.1021/jm7014217 | ||
CHEMBL259957 | 95613 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 | 10.1021/jm7014217 | ||
135589846 | 141288 | 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 | 141288 | 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 | 67780 | 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 | 67780 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 168450 | 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 | 168450 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 173982 | 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 | 173982 | 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 | 95689 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 5 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL260458 | 95689 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 5 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
11344458 | 203487 | 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 | 203487 | 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 | 59855 | 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 | 59855 | 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 | 59855 | 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 | 117643 | 28 | None | -20 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | 10.1021/jm051008s | ||
CHEMBL340801 | 117643 | 28 | None | -20 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | 10.1021/jm051008s | ||
46881855 | 7664 | 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 | 7664 | 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 | 86040 | 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 | 86040 | 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 | 123395 | 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 | 123395 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 175746 | 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 | 199534 | 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 | 199534 | 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 | 192324 | 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 | 192324 | 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 | 192324 | 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 | 185206 | 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 | 185206 | 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 | 69569 | 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 | 69569 | 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 | 116522 | 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 | 116522 | 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 | 19225 | 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 | 19225 | 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 | 19225 | 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 | 19225 | 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 | 69396 | 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 | 69396 | 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 | 187854 | 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 | 187854 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 116641 | 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 | 116641 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 8293 | 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 | 8293 | 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 | 109632 | 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 | 109632 | 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 | 19225 | 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 | 19225 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 75315 | 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 | 75315 | 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 | 186704 | 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 | 186704 | 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 | 105571 | 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 | 105571 | 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 | 186704 | 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 | 186704 | 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 | 192575 | 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 | 192575 | 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 | 175973 | 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 | 175973 | 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 | 175973 | 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 | 192575 | 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 | 192575 | 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 | 192116 | 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 | 192116 | 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 | 15876 | 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 | 15876 | 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 | 67800 | 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 | 67800 | 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 | 89299 | 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 | 89299 | 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 | 6832 | 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 | 6832 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 197919 | 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 | 197919 | 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 | 186898 | 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 | 186898 | 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 | 15877 | 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 | 15877 | 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 | 109641 | 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 | 109641 | 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 | 186272 | 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 | 186272 | 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 | 186734 | 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 | 186734 | 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 | 95707 | 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 | 95707 | 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 | 95707 | 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 | 95707 | 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 | 67713 | 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 | 67713 | 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 | 190792 | 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 | 190792 | 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 | 197882 | 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 | 197882 | 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 | 61205 | 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 | 61205 | 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 | 115420 | 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 | 115420 | 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 | 67762 | 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 | 67762 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 56186 | 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 | 56186 | 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 | 56187 | 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 | 56187 | 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 | 89295 | 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 | 89295 | 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 | 3744 | 43 | None | -14 | 25 | 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 | 3744 | 43 | None | -14 | 25 | 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 | 3744 | 43 | None | -14 | 25 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 3 | 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 | 3 | 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 | 3 | 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 | 3146 | 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 | 3146 | 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 | 3146 | 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 | 202780 | 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 | 202780 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 89237 | 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 | 89237 | 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 | 89242 | 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 | 89242 | 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 | 74093 | 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 | 74093 | 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 | 75695 | 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 | 75695 | 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 | 138178 | 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 | 138178 | 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 | 18654 | 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 | 18654 | 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 | 197524 | 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 | 197524 | 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 | 193547 | 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 | 193547 | 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 | 193547 | 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 | 62793 | 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 | 62793 | 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 | 62793 | 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 | 7081 | 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 | 7081 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1267 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 89186 | 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 | 89186 | 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 | 3998 | 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 | 3998 | 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 | 3998 | 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 | 75180 | 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 | 75180 | 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 | 75958 | 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 | 75958 | 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 | 75329 | 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 | 75329 | 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 | 944 | 89 | None | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
38 | 944 | 89 | None | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
722 | 944 | 89 | None | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | ||
44395314 | 123169 | 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 | 123169 | 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 | 3 | 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 | 3 | 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 | 3 | 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 | 75291 | 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 | 75291 | 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 | 75322 | 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 | 75322 | 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 | 62793 | 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 | 62793 | 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 | 62793 | 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 | 18756 | 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 | 18756 | 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 | 67874 | 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 | 67874 | 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 | 67874 | 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 | 67874 | 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 | 111695 | 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 | 111695 | 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 | 69563 | 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 | 69563 | 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 | 15875 | 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 | 15875 | 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 | 61209 | 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 | 61209 | 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 | 116609 | 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 | 116609 | 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 | 203974 | 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 | 203974 | 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 | 111683 | 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 | 111683 | 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 | 69525 | 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 | 69525 | 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 | 186771 | 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 | 186771 | 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 | 111686 | 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 | 111686 | 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 | 109649 | 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 | 109649 | 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 | 123501 | 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 | 123501 | 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 | 111686 | 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 | 111686 | 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 | 15332 | 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 | 15332 | 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 | 166558 | 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 | 166558 | 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 | 67704 | 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 | 67704 | 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 | 89297 | 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 | 89297 | 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 | 178770 | 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 | 178770 | 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 | 198400 | 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 | 198400 | 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 | 58591 | 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 | 58591 | 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 | 86069 | 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 | 86069 | 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 | 200388 | 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 | 200388 | 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 | 184401 | 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 | 184401 | 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 | 69392 | 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 | 69392 | 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 | 116625 | 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 | 116625 | 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 | 116634 | 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 | 116634 | 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 | 6831 | 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 | 6831 | 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 | 109310 | 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 | 109310 | 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 | 86580 | 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 | 86580 | 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 | 156668 | 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 | 156668 | 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 | 186227 | 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 | 186227 | 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 | 186227 | 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 | 186227 | 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 | 188496 | 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 | 188496 | 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 | 95850 | 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 | 95850 | 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 | 5699 | 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 | 5699 | 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 | 186303 | 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 | 186303 | 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 | 95849 | 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 | 95849 | 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 | 155411 | 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 | 155411 | 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 | 61212 | 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 | 61212 | 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 | 67981 | 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 | 67981 | 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 | 177766 | 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 | 177766 | 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 | 177766 | 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 | 186201 | 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 | 186201 | 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 | 58593 | 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 | 58593 | 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 | 59884 | 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 | 59884 | 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 | 59884 | 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 | 95713 | 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 | 95713 | 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 | 186201 | 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 | 186201 | 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 | 136209 | 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 | 136209 | 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 | 197407 | 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 | 197407 | 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 | 192249 | 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 | 192249 | 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 | 192249 | 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 | 192443 | 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 | 192443 | 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 | 192443 | 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 | 67534 | 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 | 67534 | 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 | 184549 | 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 | 184549 | 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 | 67979 | 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 | 67979 | 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 | 86059 | 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 | 86059 | 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 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1247 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1375 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
774 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
CHEMBL90 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
DB05381 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 69376 | 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 | 69376 | 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 | 69394 | 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 | 69394 | 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 | 79856 | 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 | 79856 | 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 | 95707 | 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 | 95707 | 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 | 61190 | 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 | 61190 | 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 | 61221 | 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 | 61221 | 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 | 188153 | 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 | 188153 | 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 | 61221 | 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 | 61221 | 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 | 115417 | 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 | 115417 | 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 | 116619 | 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 | 116619 | 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 | 116637 | 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 | 116637 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 89227 | 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 | 89227 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 186704 | 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 | 186704 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 19225 | 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 | 19225 | 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 | 75312 | 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 | 75312 | 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 | 75313 | 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 | 75313 | 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 | 75314 | 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 | 75314 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 89298 | 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 | 89298 | 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 | 69572 | 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 | 69572 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 172839 | 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 | 172839 | 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 | 172839 | 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 | 172839 | 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 | 111693 | 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 | 111693 | 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 | 67985 | 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 | 67985 | 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 | 173783 | 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 | 173783 | 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 | 173783 | 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 | 173783 | 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 | 192322 | 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 | 192322 | 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 | 192322 | 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 | 7178 | 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 | 7178 | 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 | 18687 | 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 | 18687 | 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 | 18687 | 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 | 18687 | 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 | 18687 | 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 | 18687 | 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 | 161246 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1021/jm7014217 | ||
CHEMBL414183 | 161246 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1021/jm7014217 | ||
1265 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 67843 | 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 | 67843 | 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 | 175989 | 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 | 175989 | 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 | 175989 | 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 | 186200 | 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 | 186200 | 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 | 186200 | 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 | 186200 | 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 | 157364 | 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 | 157364 | 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 | 109651 | 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 | 109651 | 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 | 116627 | 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 | 116627 | 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 | 1901 | 114 | None | -12 | 23 | 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 | 1901 | 114 | None | -12 | 23 | 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 | 1901 | 114 | None | -12 | 23 | 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 | 1901 | 114 | None | -12 | 23 | 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 | 1901 | 114 | None | -12 | 23 | 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 | 1901 | 114 | None | -12 | 23 | 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 | 66494 | 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 | 66494 | 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 | 175904 | 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 | 175904 | 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 | 175904 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 103310 | 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 | 103310 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1278 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 168450 | 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 | 168450 | 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 | 74071 | 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 | 74071 | 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 | 74649 | 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 | 74649 | 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 | 76224 | 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 | 76224 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 161246 | 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 | 161246 | 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 | 186704 | 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 | 186704 | 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 | 186831 | 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 | 186831 | 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 | 75332 | 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 | 75332 | 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 | 75333 | 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 | 75333 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 95895 | 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 | 95895 | 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 | 193524 | 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 | 193524 | 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 | 193524 | 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 | 193580 | 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 | 193580 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 1986 | 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 | 1986 | 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 | 1986 | 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 | 89234 | 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 | 89234 | 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 | 75653 | 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 | 75653 | 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 | 61556 | 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 | 61556 | 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 | 95713 | 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 | 95713 | 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 | 64797 | 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 | 64797 | 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 | 75309 | 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 | 75309 | 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 | 186177 | 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 | 186177 | 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 | 136050 | 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 | 136050 | 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 | 5286 | 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 | 5286 | 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 | 192201 | 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 | 192201 | 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 | 192201 | 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 | 75283 | 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 | 75283 | 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 | 185826 | 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 | 185826 | 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 | 5884 | 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 | 5884 | 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 | 5884 | 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 | 61225 | 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 | 61225 | 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 | 111691 | 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 | 111691 | 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 | 136211 | 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 | 136211 | 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 | 79586 | 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 | 79586 | 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 | 138999 | 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 | 138999 | 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 | 5286 | 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 | 5286 | 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 | 184993 | 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 | 184993 | 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 | 69386 | 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 | 69386 | 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 | 83848 | 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 | 83848 | 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 | 83848 | 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 | 83848 | 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 | 67803 | 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 | 67803 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 198225 | 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 | 198225 | 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 | 58580 | 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 | 58580 | 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 | 156823 | 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 | 156823 | 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 | 69384 | 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 | 69384 | 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 | 67538 | 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 | 67538 | 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 | 136967 | 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 | 136967 | 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 | 91435 | 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 | 91435 | 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 | 184007 | 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 | 184007 | 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 | 86065 | 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 | 86065 | 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 | 61191 | 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 | 61191 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 116622 | 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 | 116622 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 176093 | 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 | 6510 | 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 | 6510 | 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 | 186177 | 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 | 186177 | 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 | 203533 | 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 | 203533 | 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 | 28864 | 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 | 28864 | 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 | 136115 | 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 | 136115 | 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 | 192160 | 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 | 192160 | 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 | 192160 | 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 | 192183 | 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 | 192183 | 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 | 192183 | 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 | 99773 | 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 | 99773 | 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 | 5817 | 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 | 5817 | 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 | 5817 | 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 | 19236 | 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 | 19236 | 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 | 19236 | 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 | 19236 | 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 | 116613 | 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 | 116613 | 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 | 14521 | 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 | 14521 | 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 | 19236 | 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 | 19236 | 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 | 5523 | 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 | 5523 | 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 | 89289 | 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 | 89289 | 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 | 172837 | 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 | 172837 | 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 | 172837 | 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 | 172837 | 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 | 197773 | 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 | 197773 | 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 | 188474 | 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 | 188474 | 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 | 79850 | 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 | 79850 | 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 | 67766 | 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 | 67766 | 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 | 67783 | 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 | 67783 | 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 | 187597 | 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 | 187597 | 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 | 187597 | 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 | 56188 | 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 | 56188 | 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 | 56189 | 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 | 56189 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 56184 | 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 | 56184 | 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 | 102438 | 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 | 102438 | 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 | 175921 | 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 | 175921 | 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 | 175921 | 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 | 89244 | 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 | 89244 | 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 | 186704 | 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 | 186704 | 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 | 58592 | 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 | 58592 | 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 | 105572 | 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 | 105572 | 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 | 69571 | 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 | 69571 | 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 | 89295 | 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 | 89295 | 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 | 186202 | 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 | 186202 | 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 | 188474 | 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 | 188474 | 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 | 200344 | 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 | 200344 | 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 | 18722 | 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 | 18722 | 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 | 123503 | 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 | 123503 | 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 | 62833 | 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 | 62833 | 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 | 62833 | 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 | 166334 | 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 | 166334 | 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 | 176925 | 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 | 176925 | 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 | 192177 | 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 | 192177 | 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 | 192177 | 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 | 62833 | 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 | 62833 | 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 | 62833 | 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 | 188474 | 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 | 188474 | 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 | 198116 | 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 | 198116 | 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 | 198059 | 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 | 198059 | 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 | 6507 | 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 | 6507 | 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 | 136969 | 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 | 136969 | 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 | 174757 | 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 | 174757 | 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 | 86035 | 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 | 86035 | 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 | 69526 | 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 | 69526 | 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 | 67760 | 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 | 67760 | 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 | 192404 | 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 | 192404 | 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 | 192404 | 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 | 192418 | 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 | 192418 | 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 | 192418 | 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 | 95675 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
CHEMBL260371 | 95675 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1 | 10.1021/jm7014217 | ||
71528209 | 86544 | 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 | 86544 | 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 | 158580 | 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 | 158580 | 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 | 67709 | 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 | 67709 | 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 | 71284 | 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 | 71284 | 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 | 71284 | 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 | 158580 | 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 | 158580 | 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 | 186356 | 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 | 186356 | 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 | 186356 | 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 | 186356 | 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 | 192293 | 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 | 192293 | 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 | 192293 | 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 | 169112 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm800876b | ||
CHEMBL443764 | 169112 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm800876b | ||
24759622 | 169112 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
24759622 | 169112 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm901379s | ||
CHEMBL443764 | 169112 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
CHEMBL443764 | 169112 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm901379s | ||
164622259 | 185148 | 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 | 185148 | 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 | 67804 | 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 | 67804 | 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 | 61203 | 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 | 61203 | 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 | 7231 | 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 | 7231 | 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 | 109650 | 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 | 109650 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 58584 | 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 | 58584 | 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 | 183843 | 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 | 183843 | 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 | 192412 | 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 | 192412 | 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 | 192412 | 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 | 192433 | 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 | 192433 | 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 | 192433 | 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 | 136935 | 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 | 136935 | 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 | 95040 | 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 | 95040 | 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 | 5853 | 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 | 5853 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 188474 | 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 | 188474 | 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 | 190792 | 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 | 190792 | 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 | 1901 | 114 | None | -15 | 23 | 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 | 1901 | 114 | None | -15 | 23 | 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 | 1901 | 114 | None | -15 | 23 | 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 | 1901 | 114 | None | -15 | 23 | 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 | 1901 | 114 | None | -15 | 23 | 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 | 1901 | 114 | None | -15 | 23 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 174529 | 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 | 174529 | 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 | 89219 | 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 | 89219 | 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 | 89225 | 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 | 89225 | 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 | 89236 | 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 | 89236 | 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 | 89238 | 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 | 89238 | 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 | 75664 | 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 | 75664 | 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 | 75292 | 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 | 75292 | 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 | 75297 | 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 | 75297 | 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 | 75311 | 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 | 75311 | 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 | 75341 | 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 | 75341 | 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 | 58600 | 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 | 58600 | 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 | 186202 | 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 | 186202 | 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 | 78270 | 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 | 78270 | 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 | 19183 | 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 | 19183 | 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 | 111694 | 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 | 111694 | 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 | 182365 | 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 | 182365 | 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 | 5229 | 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 | 5229 | 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 | 17804 | 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 | 17804 | 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 | 89224 | 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 | 89224 | 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 | 74605 | 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 | 74605 | 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 | 76166 | 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 | 76166 | 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 | 137974 | 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 | 137974 | 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 | 64793 | 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 | 64793 | 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 | 75289 | 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 | 75289 | 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 | 75306 | 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 | 75306 | 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 | 126124 | 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 | 126124 | 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 | 7313 | 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 | 7313 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 12662 | 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 | 12662 | 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 | 12662 | 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 | 184692 | 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 | 184692 | 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 | 18751 | 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 | 18751 | 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 | 19242 | 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 | 19242 | 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 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
9923162 | 18751 | 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 | 18751 | 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 | 19242 | 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 | 19242 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 61062 | 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 | 61062 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 115417 | 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 | 115417 | 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 | 116632 | 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 | 116632 | 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 | 116640 | 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 | 116640 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 109660 | 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 | 109660 | 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 | 67793 | 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 | 67793 | 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 | 18751 | 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 | 18751 | 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 | 19242 | 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 | 19242 | 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 | 197772 | 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 | 197772 | 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 | 187060 | 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 | 187060 | 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 | 58581 | 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 | 58581 | 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 | 175934 | 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 | 175934 | 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 | 175934 | 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 | 192446 | 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 | 192446 | 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 | 192446 | 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 | 6437 | 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 | 6437 | 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 | 198466 | 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 | 198466 | 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 | 175482 | 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 | 175482 | 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 | 184360 | 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 | 184360 | 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 | 184998 | 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 | 184998 | 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 | 185847 | 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 | 185847 | 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 | 7313 | 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 | 7313 | 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 | 86062 | 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 | 86062 | 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 | 67875 | 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 | 67875 | 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 | 67875 | 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 | 67875 | 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 | 116636 | 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 | 116636 | 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 | 166558 | 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 | 166558 | 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 | 67868 | 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 | 67868 | 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 | 61227 | 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 | 61227 | 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 | 67868 | 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 | 67868 | 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 | 69565 | 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 | 69565 | 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 | 111699 | 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 | 111699 | 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 | 67834 | 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 | 67834 | 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 | 6506 | 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 | 6506 | 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 | 16565 | 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 | 16565 | 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 | 10285 | 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 | 10285 | 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 | 89296 | 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 | 89296 | 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 | 189153 | 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 | 189153 | 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 | 189153 | 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 | 189153 | 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 | 184986 | 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 | 184986 | 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 | 61215 | 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 | 61215 | 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 | 123396 | 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 | 123396 | 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 | 116630 | 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 | 116630 | 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 | 67986 | 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 | 67986 | 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 | 139717 | 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 | 139717 | 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 | 185739 | 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 | 185739 | 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 | 86041 | 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 | 86041 | 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 | 67836 | 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 | 67836 | 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 | 67830 | 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 | 67830 | 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 | 67839 | 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 | 67839 | 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 | 7210 | 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 | 7210 | 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 | 71257 | 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 | 71257 | 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 | 71257 | 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 | 71259 | 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 | 71259 | 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 | 71259 | 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 | 172874 | 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 | 172874 | 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 | 58587 | 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 | 58587 | 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 | 173666 | 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 | 173666 | 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 | 16244 | 4 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
CHEMBL123137 | 16244 | 4 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1021/jm7014217 | ||
25179123 | 188511 | 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 | 188511 | 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 | 5229 | 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 | 5229 | 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 | 192199 | 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 | 192199 | 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 | 192199 | 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 | 67537 | 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 | 67537 | 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 | 10284 | 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 | 10284 | 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 | 86036 | 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 | 86036 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 1901 | 114 | None | -3 | 23 | 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 | 61211 | 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 | 61211 | 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 | 67841 | 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 | 67841 | 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 | 83047 | 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 | 83047 | 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 | 67841 | 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 | 67841 | 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 | 67714 | 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 | 67714 | 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 | 89296 | 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 | 89296 | 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 | 186771 | 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 | 186771 | 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 | 89294 | 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 | 89294 | 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 | 197749 | 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 | 197749 | 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 | 109661 | 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 | 109661 | 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 | 67841 | 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 | 67841 | 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 | 67870 | 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 | 67870 | 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 | 69390 | 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 | 69390 | 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 | 1396 | 27 | None | -15 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm7014777 | ||
11615753 | 72593 | 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 | 72593 | 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 | 123320 | 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 | 123320 | 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 | 79903 | 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 | 79903 | 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 | 123398 | 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 | 123398 | 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 | 67879 | 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 | 67879 | 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 | 69378 | 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 | 69378 | 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 | 202351 | 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 | 202351 | 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 | 202351 | 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 | 58576 | 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 | 58576 | 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 | 136963 | 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 | 136963 | 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 | 115411 | 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 | 115411 | 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 | 83815 | 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 | 83815 | 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 | 67987 | 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 | 67987 | 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 | 177734 | 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 | 177734 | 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 | 177734 | 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 | 109823 | 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 | 109823 | 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 | 67976 | 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 | 67976 | 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 | 69383 | 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 | 69383 | 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 | 136742 | 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 | 136742 | 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 | 186203 | 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 | 186203 | 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 | 188511 | 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 | 188511 | 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 | 186203 | 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 | 186203 | 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 | 185574 | 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 | 185574 | 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 | 116611 | 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 | 116611 | 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 | 116608 | 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 | 116608 | 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 | 7163 | 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 | 7163 | 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 | 69564 | 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 | 69564 | 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 | 155577 | 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 | 155577 | 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 | 136771 | 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 | 136771 | 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 | 139670 | 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 | 139670 | 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 | 186671 | 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 | 186671 | 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 | 86058 | 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 | 86058 | 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 | 139708 | 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 | 139708 | 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 | 2151 | 44 | None | -21379 | 20 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
3827 | 2151 | 44 | None | -21379 | 20 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
7206 | 2151 | 44 | None | -21379 | 20 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
CHEMBL534 | 2151 | 44 | None | -21379 | 20 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
DB00920 | 2151 | 44 | None | -21379 | 20 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
124087 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1362 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 1878 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1247 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1375 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
774 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
CHEMBL90 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
DB05381 | 1901 | 114 | None | -12 | 23 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1236 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1241 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
None | 214372 | 0 | 3H-Histamine | 4 | 6 | Guinea pig | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
1204 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
None | 214372 | 0 | 3H-Histamine | 4 | 6 | 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 | 50 | 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 | 50 | 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 | 50 | 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 | 50 | 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 | 50 | 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 | 51 | 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 | 51 | 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 | 51 | 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 | 51 | 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 | 51 | 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 | 924 | 112 | 3H-Histamine | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
1231 | 924 | 112 | 3H-PYRILAMINE | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
2756 | 924 | 112 | 3H-Histamine | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
2756 | 924 | 112 | 3H-PYRILAMINE | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
645 | 924 | 112 | 3H-Histamine | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
645 | 924 | 112 | 3H-PYRILAMINE | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
CHEMBL30 | 924 | 112 | 3H-Histamine | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
CHEMBL30 | 924 | 112 | 3H-PYRILAMINE | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
DB00501 | 924 | 112 | 3H-Histamine | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
DB00501 | 924 | 112 | 3H-PYRILAMINE | -81 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
277 | 1274 | 55 | 3H-Histamine | -301 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1274 | 55 | 3H-Histamine | -301 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1274 | 55 | 3H-Histamine | -301 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1274 | 55 | 3H-Histamine | -301 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1274 | 55 | 3H-Histamine | -301 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
1248 | 1396 | 27 | 3H-PYRILAMINE | -15 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
3077 | 1396 | 27 | 3H-PYRILAMINE | -15 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
90045 | 1396 | 27 | 3H-PYRILAMINE | -15 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
CHEMBL12344 | 1396 | 27 | 3H-PYRILAMINE | -15 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
1224 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1632 | 45 | 3H-Histamine | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 3H-Histamine | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 3H-Histamine | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 3H-Histamine | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 3H-Histamine | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
1353 | 1880 | 85 | 3H-Histamine | -6918 | 85 | 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 | 1880 | 85 | 3H-Histamine | -6918 | 85 | 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 | 1880 | 85 | 3H-Histamine | -6918 | 85 | 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 | 1880 | 85 | 3H-Histamine | -6918 | 85 | 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 | 1880 | 85 | 3H-Histamine | -6918 | 85 | 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 | 2869 | 108 | 3H-Histamine | -5128 | 65 | 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 | 2869 | 108 | 3H-Histamine | -5128 | 65 | 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 | 2869 | 108 | 3H-Histamine | -5128 | 65 | 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 | 2869 | 108 | 3H-Histamine | -5128 | 65 | 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 | 3110 | 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 | 3110 | 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 | 3110 | 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 | 3110 | 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 | 3110 | 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 | 3205 | 72 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
1234 | 3239 | 0 | 3H-Histamine | -162 | 6 | 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 | 3239 | 0 | 3H-Histamine | -162 | 6 | 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 | 3239 | 0 | 3H-Histamine | -162 | 6 | 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 | 3239 | 0 | 3H-Histamine | -162 | 6 | 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 | 3279 | 114 | 3H-Histamine | -25703 | 67 | 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 | 3279 | 114 | 3H-Histamine | -25703 | 67 | 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 | 3279 | 114 | 3H-Histamine | -25703 | 67 | 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 | 3279 | 114 | 3H-Histamine | -25703 | 67 | 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 | 3279 | 114 | 3H-Histamine | -25703 | 67 | 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 | 3635 | 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 | 3635 | 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 | 3635 | 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 | 3792 | 50 | 3H-Histamine | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | 3H-Histamine | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | 3H-Histamine | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | 3H-Histamine | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | 3H-Histamine | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
185 | 3943 | 54 | 3H-Histamine | -30902 | 37 | 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 | 3943 | 54 | 3H-Histamine | -30902 | 37 | 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 | 3943 | 54 | 3H-Histamine | -30902 | 37 | 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 | 3943 | 54 | 3H-Histamine | -30902 | 37 | 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 | 4079 | 67 | 3H-Histamine | -20417 | 53 | 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 | 4079 | 67 | 3H-Histamine | -20417 | 53 | 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 | 4079 | 67 | 3H-Histamine | -20417 | 53 | 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 | 4079 | 67 | 3H-Histamine | -20417 | 53 | 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 | 4079 | 67 | 3H-Histamine | -20417 | 53 | 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 | 26905 | 29 | 3H-Histamine | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
CHEMBL136560 | 26905 | 29 | 3H-Histamine | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
156391 | 46537 | 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 | 46537 | 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 | 46537 | 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 | 69957 | 17 | 3H-Histamine | -102 | 32 | 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 | 69957 | 17 | 3H-Histamine | -102 | 32 | 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 | 69957 | 17 | 3H-Histamine | -102 | 32 | 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 | 91403 | 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 | 91403 | 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 | 107045 | 18 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
446220 | 132998 | 13 | 3H-Histamine | -1778 | 45 | 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 | 132998 | 13 | 3H-Histamine | -1778 | 45 | 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 | 194860 | 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 | 194860 | 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 | 198867 | 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 | 198867 | 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 | 198867 | 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 | 200587 | 19 | 3H-Histamine | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | 3H-Histamine | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | 3H-Histamine | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4054 | 203790 | 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 | 203790 | 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 | 203790 | 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 | 214201 | 0 | 3H-Histamine | -33113 | 43 | 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 | 214217 | 0 | 3H-Histamine | -1 | 27 | 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 | 214249 | 0 | 3H-Histamine | -41686 | 36 | 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 | 214372 | 0 | 3H-PYRILAMINE | -7585 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
25137849 | 214425 | 0 | 3H-Histamine | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 214425 | 0 | 3H-Histamine | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
None | 214560 | 0 | 3H-Histamine | -1 | 33 | 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 | 214561 | 0 | 3H-Histamine | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
None | 214562 | 0 | 3H-Histamine | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
None | 214563 | 0 | 3H-Histamine | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
None | 214564 | 0 | 3H-Histamine | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
None | 214565 | 0 | 3H-Histamine | -1 | 39 | 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 | 214566 | 0 | 3H-Histamine | -1 | 38 | 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 | 214574 | 0 | 3H-Histamine | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
1576 | 214575 | 0 | 3H-Histamine | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
135269 | 214639 | 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 | 214640 | 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 | 214644 | 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 | 214645 | 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 | 214648 | 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 | 214747 | 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 | 2004 | 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 | 2004 | 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 | 2004 | 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 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | 1 | 23 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1225 | 1443 | 24 | 3H-PYRILAMINE | -371 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
3958 | 1443 | 24 | 3H-PYRILAMINE | -371 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
667477 | 1443 | 24 | 3H-PYRILAMINE | -371 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
CHEMBL860 | 1443 | 24 | 3H-PYRILAMINE | -371 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
DB01142 | 1443 | 24 | 3H-PYRILAMINE | -371 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
1226 | 1988 | 16 | 3H-Histamine | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
41376 | 1988 | 16 | 3H-Histamine | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
CHEMBL12608 | 1988 | 16 | 3H-Histamine | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
1223 | 940 | 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 | 940 | 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 | 940 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 2027 | 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 | 2027 | 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 | 2027 | 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 | 214502 | 0 | 3H-Histamine | -13 | 18 | 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 | 214502 | 0 | 3H-N-alpha-methylhistamine | -13 | 18 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-N-alpha-methylhistamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-N-alpha-methylhistamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-N-alpha-methylhistamine | -33 | 25 | 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 | 927 | 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 | 927 | 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 | 927 | 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 | 927 | 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 | 927 | 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 | 214395 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1204 | 1901 | 114 | 3H-N-alpha-methylhistamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-N-alpha-methylhistamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-N-alpha-methylhistamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-N-alpha-methylhistamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-N-alpha-methylhistamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-N-alpha-methylhistamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
2286 | 3134 | 48 | 3H-PYRILAMINE | -10 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3134 | 48 | 3H-PYRILAMINE | -10 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3134 | 48 | 3H-PYRILAMINE | -10 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3134 | 48 | 3H-PYRILAMINE | -10 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3134 | 48 | 3H-PYRILAMINE | -10 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
1204 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
3032915 | 15321 | 20 | 3H-Histamine | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
CHEMBL12160 | 15321 | 20 | 3H-Histamine | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
1204 | 1901 | 114 | 3H-JNJ 7777120 | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-JNJ 7777120 | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-JNJ 7777120 | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-JNJ 7777120 | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-JNJ 7777120 | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-JNJ 7777120 | -3 | 23 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1251 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 214502 | 0 | 125I-iodophenpropit | -13 | 18 | 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 | 214502 | 0 | 3H-JNJ 7777120 | -13 | 18 | 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 | 4089 | 56 | 3H-Histamine | -89 | 53 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | 3H-Histamine | -89 | 53 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | 3H-Histamine | -89 | 53 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | 3H-Histamine | -89 | 53 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | 3H-Histamine | -89 | 53 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
135398737 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
1204 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
11957573 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1274 | 55 | 3H-PYRILAMINE | -301 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1274 | 55 | 3H-PYRILAMINE | -301 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1274 | 55 | 3H-PYRILAMINE | -301 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1274 | 55 | 3H-PYRILAMINE | -301 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1274 | 55 | 3H-PYRILAMINE | -301 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
1241 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 214372 | 0 | 3H-Histamine | -7585 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
100 | 3745 | 52 | 3H-Histamine | -56 | 55 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 3H-Histamine | -56 | 55 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 3H-Histamine | -56 | 55 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 3H-Histamine | -56 | 55 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 3H-Histamine | -56 | 55 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
1204 | 1901 | 114 | 125I-iodophenpropit | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 125I-iodophenpropit | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 125I-iodophenpropit | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 125I-iodophenpropit | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 125I-iodophenpropit | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 125I-iodophenpropit | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1226 | 1988 | 16 | 3H-N-alpha-methylhistamine | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
41376 | 1988 | 16 | 3H-N-alpha-methylhistamine | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
CHEMBL12608 | 1988 | 16 | 3H-N-alpha-methylhistamine | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
45037031 | 214395 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 905 | 45 | 3H-PYRILAMINE | -186 | 20 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
135398737 | 944 | 89 | 125I-iodophenpropit | -57 | 91 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 125I-iodophenpropit | -57 | 91 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 125I-iodophenpropit | -57 | 91 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 125I-iodophenpropit | -57 | 91 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 125I-iodophenpropit | -57 | 91 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
1239 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 38 | 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 | 38 | 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 | 38 | 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 | 38 | 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 | 38 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
1204 | 1901 | 114 | 3H-PYRILAMINE | -3 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-PYRILAMINE | -3 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-PYRILAMINE | -3 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-PYRILAMINE | -3 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-PYRILAMINE | -3 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-PYRILAMINE | -3 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
None | 214372 | 0 | 3H-Histamine | -7585 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
1248 | 1396 | 27 | 3H-Histamine | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
3077 | 1396 | 27 | 3H-Histamine | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
90045 | 1396 | 27 | 3H-Histamine | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
CHEMBL12344 | 1396 | 27 | 3H-Histamine | -15 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
11957573 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 19255 | 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 | 19255 | 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 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1267 | 3744 | 43 | 125I-iodophenpropit | -33 | 25 | 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 | 3744 | 43 | 125I-iodophenpropit | -33 | 25 | 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 | 3744 | 43 | 125I-iodophenpropit | -33 | 25 | 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 | 15321 | 20 | 3H-Histamine | -1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
3032915 | 15321 | 20 | 3H-N-alpha-methylhistamine | -1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
CHEMBL12160 | 15321 | 20 | 3H-Histamine | -1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
CHEMBL12160 | 15321 | 20 | 3H-N-alpha-methylhistamine | -1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
135398737 | 944 | 89 | 3H-JNJ 7777120 | -57 | 91 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-JNJ 7777120 | -57 | 91 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-JNJ 7777120 | -57 | 91 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-JNJ 7777120 | -57 | 91 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-JNJ 7777120 | -57 | 91 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
45073439 | 214396 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 1404 | 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 | 31784 | 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 | 31784 | 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 | 31784 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 13330 | 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 | 13330 | 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 | 13330 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 3744 | 43 | 3H-Histamine | -33 | 25 | 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 | 55296 | 113 | None | -162 | 54 | 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 | 55296 | 113 | None | -162 | 54 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 215971 | 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 | 2316 | 44 | None | -112 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | None | -112 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | None | -112 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | None | -112 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | None | -112 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
16106 | 117643 | 28 | None | -20 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | None | ||
CHEMBL340801 | 117643 | 28 | None | -20 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | None | ||
4761 | 13330 | 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 | 13330 | 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 | 13330 | 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 | 944 | 89 | None | -54 | 91 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -54 | 91 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -54 | 91 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -54 | 91 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -54 | 91 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
100 | 3745 | 52 | None | -56 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | None | -56 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | None | -56 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | None | -56 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | None | -56 | 55 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
16362 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 3076 | 67 | None | -562 | 29 | 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 | 944 | 89 | None | -44 | 91 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -44 | 91 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -44 | 91 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -44 | 91 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -44 | 91 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
103 | 4089 | 56 | None | -89 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | None | -89 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | None | -89 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | None | -89 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | None | -89 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2726 | 906 | 64 | 3H-PYRILAMINE | -70 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-PYRILAMINE | -70 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-PYRILAMINE | -70 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-PYRILAMINE | -70 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-PYRILAMINE | -70 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2726 | 906 | 64 | 3H-Histamine | -70 | 72 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-Histamine | -70 | 72 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-Histamine | -70 | 72 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-Histamine | -70 | 72 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-Histamine | -70 | 72 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1613 | 2316 | 44 | 3H-Histamine | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | 3H-Histamine | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | 3H-Histamine | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | 3H-Histamine | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | 3H-Histamine | -112 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
135398737 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
11957573 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 31784 | 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 | 31784 | 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 | 31784 | 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 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 905 | 45 | None | -186 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2286 | 3134 | 48 | None | -10 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3134 | 48 | None | -10 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3134 | 48 | None | -10 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3134 | 48 | None | -10 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3134 | 48 | None | -10 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
2726 | 906 | 64 | None | -70 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | None | -70 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | None | -70 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | None | -70 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | None | -70 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1204 | 1901 | 114 | None | -15 | 23 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1204 | 1901 | 114 | None | -12 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | None | -12 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | None | -12 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | None | -12 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | None | -12 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | None | -12 | 23 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1223 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 2496 | 38 | 3H-PYRILAMINE | -389 | 57 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | 3H-PYRILAMINE | -389 | 57 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | 3H-PYRILAMINE | -389 | 57 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | 3H-PYRILAMINE | -389 | 57 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | 3H-PYRILAMINE | -389 | 57 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1267 | 3744 | 43 | 3H-JNJ 7777120 | -33 | 25 | 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 | 3744 | 43 | 3H-JNJ-5207852 | -33 | 25 | 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 | 3744 | 43 | 3H-JNJ 7777120 | -33 | 25 | 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 | 3744 | 43 | 3H-JNJ-5207852 | -33 | 25 | 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 | 3744 | 43 | 3H-JNJ 7777120 | -33 | 25 | 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 | 3744 | 43 | 3H-JNJ-5207852 | -33 | 25 | 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 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1204 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | -3 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
180 | 397 | 50 | None | -32 | 38 | 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 | 38 | 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 | 38 | 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 | 38 | 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 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
277 | 1274 | 55 | None | -301 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1274 | 55 | None | -301 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1274 | 55 | None | -301 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1274 | 55 | None | -301 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1274 | 55 | None | -301 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
1204 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | None | 1 | 23 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
135398737 | 944 | 89 | None | -57 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -57 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -57 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -57 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -57 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
135398737 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-Histamine | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
135398737 | 944 | 89 | 3H-PYRILAMINE | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-PYRILAMINE | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-PYRILAMINE | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-PYRILAMINE | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-PYRILAMINE | -57 | 91 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
115237 | 55296 | 113 | 3H-Histamine | -162 | 54 | 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 | 55296 | 113 | 3H-Histamine | -162 | 54 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 3785 | 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 | 3785 | 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 | 3785 | 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 | 3785 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 929 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 3744 | 43 | None | -33 | 25 | 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 | 2101 | 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 | 2101 | 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 | 2101 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 4001 | 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 | 4001 | 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 | 4001 | 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 | 3 | 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 | 3 | 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 | 3 | 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 | 3 | 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 | 3 | 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 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 16432504 | ||
1223 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 940 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 2111 | 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 | 3626 | 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 | 3626 | 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 | 3626 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 2119 | 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 | 1992 | 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 | 1992 | 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 | 3084 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
8924 | 3084 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
9948102 | 3084 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
CHEMBL462605 | 3084 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
DB11642 | 3084 | 57 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
441082 | 1140 | 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 | 1140 | 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 | 1140 | 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 | 2510 | 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 | 2510 | 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 | 2510 | 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 | 2510 | 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 | 927 | 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 | 927 | 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 | 927 | 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 | 927 | 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 | 927 | 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 | 1987 | 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 | 1987 | 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 | 1987 | 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 | 944 | 89 | None | -54 | 91 | 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 | 944 | 89 | None | -54 | 91 | 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 | 944 | 89 | None | -54 | 91 | 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 | 944 | 89 | None | -54 | 91 | 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 | 944 | 89 | None | -54 | 91 | 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 | 2051 | 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 | 2051 | 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 | 2051 | 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 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
1248 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
1248 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
1248 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
3077 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
90045 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179434 | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11179436 | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 11181941 | ||
CHEMBL12344 | 1396 | 27 | None | -15 | 6 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 15947036 | ||
135398737 | 944 | 89 | None | -44 | 91 | 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 | 944 | 89 | None | -44 | 91 | 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 | 944 | 89 | None | -44 | 91 | 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 | 944 | 89 | None | -44 | 91 | 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 | 944 | 89 | None | -44 | 91 | 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 | 2464 | 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 | 2464 | 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 | 2464 | 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 | 1915 | 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 | 1915 | 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 | 1915 | 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 | 2009 | 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 | 2009 | 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 | 2009 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 944 | 89 | None | -57 | 91 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 2002 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 732 | 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 | 1901 | 114 | None | -12 | 23 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1247 | 1901 | 114 | None | -12 | 23 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1375 | 1901 | 114 | None | -12 | 23 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
774 | 1901 | 114 | None | -12 | 23 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
CHEMBL90 | 1901 | 114 | None | -12 | 23 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
DB05381 | 1901 | 114 | None | -12 | 23 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1204 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1247 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1375 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
774 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
CHEMBL90 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
DB05381 | 1901 | 114 | None | -15 | 23 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1241 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 2006 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -14 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -14 | 25 | 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 | 3744 | 43 | None | -21 | 25 | 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 | 3744 | 43 | None | -14 | 25 | 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 | 2026 | 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 | 2026 | 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 | 2026 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1988 | 16 | None | 2 | 6 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1983 | 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 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
1204 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
1247 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
1375 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
774 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
CHEMBL90 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | ||
DB05381 | 1901 | 114 | None | -3 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | ||
11957573 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 | 1979 | 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 |