Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
155524115 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 6604 | 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 | 6604 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 58889 | 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 | 58889 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 56482 | 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 | 56482 | 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 | 56482 | 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 | 56482 | 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 | 188438 | 19 | 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 | 188438 | 19 | 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 | 104195 | 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 | 104195 | 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 | 140200 | 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 | 140200 | 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 | 56481 | 3 | 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 | 56481 | 3 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 117142 | 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 | 117142 | 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 | 45 | 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 | 45 | 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 | 45 | 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 | 61562 | 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 | 61562 | 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 | 139220 | 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 | 139220 | 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 | 200176 | 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 | 200176 | 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 | 187626 | 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 | 187626 | 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 | 187563 | 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 | 187563 | 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 | 187595 | 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 | 187595 | 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 | 187626 | 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 | 187626 | 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 | 78680 | 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 | 78680 | 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 | 202145 | 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 | 202145 | 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 | 187629 | 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 | 187629 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 5775 | 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 | 5775 | 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 | 61526 | 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 | 61526 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 140238 | 3 | 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 | 140238 | 3 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 199908 | 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 | 199908 | 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 | 140242 | 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 | 140242 | 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 | 140247 | 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 | 140247 | 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 | 140315 | 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 | 140315 | 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 | 117122 | 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 | 117122 | 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 | 187333 | 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 | 187333 | 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 | 187583 | 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 | 187583 | 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 | 188402 | 38 | 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 | 188402 | 38 | 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 | 172613 | 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 | 172613 | 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 | 56479 | 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 | 56479 | 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 | 188418 | 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 | 188418 | 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 | 140315 | 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 | 140315 | 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 | 61558 | 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 | 61558 | 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 | 1932 | 119 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1247 | 1932 | 119 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1375 | 1932 | 119 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
774 | 1932 | 119 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
CHEMBL90 | 1932 | 119 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
DB05381 | 1932 | 119 | None | -1 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
25130914 | 187254 | 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 | 187254 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2058 | 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 | 2058 | 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 | 2058 | 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 | 4063 | 16 | 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 | 4063 | 16 | 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 | 4063 | 16 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 5732 | 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 | 5732 | 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 | 187225 | 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 | 187225 | 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 | 5636 | 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 | 5636 | 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 | 187662 | 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 | 187662 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 187403 | 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 | 187403 | 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 | 140304 | 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 | 140304 | 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 | 58892 | 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 | 58892 | 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 | 108577 | 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 | 108577 | 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 | 103786 | 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 | 103786 | 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 | 2082 | 13 | 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 | 2082 | 13 | 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 | 2082 | 13 | 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 | 56479 | 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 | 56479 | 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 | 109629 | 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 | 109629 | 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 | 5763 | 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 | 5763 | 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 | 109629 | 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 | 109629 | 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 | 140302 | 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 | 140302 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 108577 | 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 | 108577 | 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 | 187283 | 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 | 187283 | 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 | 140238 | 3 | 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 | 140238 | 3 | 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 | 78009 | 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 | 78009 | 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 | 78460 | 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 | 78460 | 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 | 189062 | 14 | 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 | 189062 | 14 | 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 | 5675 | 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 | 5675 | 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 | 187404 | 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 | 187404 | 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 | 187628 | 13 | 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 | 187628 | 13 | 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 | 140320 | 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 | 140320 | 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 | 117125 | 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 | 117125 | 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 | 187183 | 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 | 187183 | 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 | 187481 | 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 | 187481 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 178986 | 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 | 178986 | 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 | 184225 | 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 | 184225 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 140295 | 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 | 140295 | 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 | 6584 | 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 | 6584 | 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 | 5774 | 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 | 5774 | 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 | 58892 | 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 | 58892 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 1932 | 119 | None | -102 | 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 | 1932 | 119 | None | -102 | 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 | 1932 | 119 | None | -102 | 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 | 1932 | 119 | None | -102 | 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 | 1932 | 119 | None | -102 | 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 | 1932 | 119 | None | -102 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 93612 | 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 | 93612 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 61547 | 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 | 61547 | 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 | 187585 | 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 | 187585 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 5676 | 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 | 5676 | 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 | 173896 | 60 | 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 | 173896 | 60 | 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 | 188658 | 5 | 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 | 188658 | 5 | 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 | 140278 | 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 | 140278 | 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 | 193130 | 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 | 193130 | 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 | 187704 | 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 | 187704 | 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 | 187594 | 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 | 187594 | 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 | 188252 | 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 | 188252 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 189062 | 14 | 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 | 189062 | 14 | 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 | 1932 | 119 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
1247 | 1932 | 119 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
1375 | 1932 | 119 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
774 | 1932 | 119 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
CHEMBL90 | 1932 | 119 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
DB05381 | 1932 | 119 | None | -1 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
25130233 | 170613 | 7 | 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 | 170613 | 7 | 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 | 172613 | 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 | 172613 | 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 | 187376 | 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 | 187376 | 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 | 171414 | 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 | 171414 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 199904 | 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 | 199904 | 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 | 80266 | 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 | 80266 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 15495 | 24 | 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 | 15495 | 24 | 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 | 56478 | 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 | 56478 | 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 | 102911 | 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 | 102911 | 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 | 192717 | 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 | 192717 | 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 | 193109 | 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 | 193109 | 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 | 5209 | 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 | 5209 | 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 | 206981 | 35 | 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 | 206981 | 35 | 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 | 206981 | 35 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 56481 | 3 | 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 | 56481 | 3 | 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 | 56483 | 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 | 56483 | 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 | 200054 | 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 | 200054 | 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 | 5301 | 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 | 5301 | 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 | 5301 | 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 | 5301 | 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 | 5290 | 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 | 5290 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 117132 | 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 | 117132 | 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 | 77952 | 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 | 77952 | 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 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1247 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1375 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
774 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL90 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
DB05381 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
16061961 | 199679 | 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 | 199679 | 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 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
1247 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
1375 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
774 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
CHEMBL90 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
DB05381 | 1932 | 119 | None | -1 | 10 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0300025 | ||
127052635 | 140207 | 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 | 140207 | 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 | 187282 | 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 | 187282 | 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 | 140200 | 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 | 140200 | 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 | 187179 | 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 | 187179 | 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 | 187254 | 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 | 187254 | 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 | 5290 | 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 | 5290 | 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 | 2348 | 53 | None | -26 | 34 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
205 | 2348 | 53 | None | -26 | 34 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
3964 | 2348 | 53 | None | -26 | 34 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
CHEMBL831 | 2348 | 53 | None | -26 | 34 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
DB00408 | 2348 | 53 | None | -26 | 34 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm051008s | ||
753256 | 179350 | 12 | 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 | 179350 | 12 | 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 | 187346 | 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 | 187346 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 5209 | 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 | 5209 | 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 | 187182 | 5 | 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 | 187182 | 5 | 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 | 193194 | 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 | 193194 | 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 | 172012 | 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 | 172012 | 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 | 187354 | 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 | 187354 | 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 | 140194 | 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 | 140194 | 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 | 187661 | 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 | 187661 | 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 | 192723 | 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 | 192723 | 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 | 187350 | 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 | 187350 | 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 | 187589 | 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 | 187589 | 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 | 172598 | 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 | 172598 | 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 | 8091 | 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 | 8091 | 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 | 140309 | 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 | 140309 | 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 | 109479 | 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 | 109479 | 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 | 187626 | 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 | 187626 | 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 | 188816 | 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 | 188816 | 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 | 187626 | 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 | 187626 | 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 | 115917 | 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 | 115917 | 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 | 1932 | 119 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1247 | 1932 | 119 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1375 | 1932 | 119 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
774 | 1932 | 119 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
CHEMBL90 | 1932 | 119 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
DB05381 | 1932 | 119 | None | -1 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | ||
1226 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 187588 | 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 | 187588 | 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 | 172456 | 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 | 172456 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 5673 | 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 | 5673 | 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 | 188871 | 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 | 188871 | 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 | 140311 | 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 | 140311 | 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 | 199943 | 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 | 199943 | 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 | 187187 | 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 | 187187 | 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 | 205174 | 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 | 205174 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 140302 | 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 | 140302 | 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 | 1932 | 119 | None | -102 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1932 | 119 | None | -102 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1932 | 119 | None | -102 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1932 | 119 | None | -102 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1932 | 119 | None | -102 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1932 | 119 | None | -102 | 10 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
25128822 | 187481 | 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 | 187481 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 6910 | 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 | 6910 | 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 | 7316 | 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 | 7316 | 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 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 188658 | 5 | 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 | 188658 | 5 | 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 | 185230 | 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 | 185230 | 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 | 117185 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
CHEMBL339414 | 117185 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
1267 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 187712 | 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 | 187712 | 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 | 5362 | 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 | 5362 | 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 | 199798 | 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 | 199798 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 187186 | 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 | 187186 | 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 | 193103 | 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 | 193103 | 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 | 117136 | 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 | 117136 | 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 | 115918 | 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 | 115918 | 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 | 117133 | 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 | 117133 | 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 | 5362 | 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 | 5362 | 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 | 193259 | 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 | 193259 | 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 | 187380 | 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 | 187380 | 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 | 5776 | 6 | 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 | 5776 | 6 | 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 | 6585 | 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 | 6585 | 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 | 5630 | 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 | 5630 | 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 | 180766 | 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 | 180766 | 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 | 82081 | 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 | 82081 | 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 | 170187 | 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 | 170187 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 187251 | 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 | 187251 | 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 | 187381 | 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 | 187381 | 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 | 109478 | 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 | 109478 | 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 | 187252 | 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 | 187252 | 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 | 187564 | 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 | 187564 | 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 | 5776 | 6 | 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 | 5776 | 6 | 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 | 5776 | 6 | 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 | 5776 | 6 | 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 | 187414 | 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 | 187414 | 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 | 199867 | 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 | 199867 | 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 | 140266 | 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 | 140266 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 141932 | 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 | 141932 | 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 | 187585 | 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 | 187585 | 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 | 187404 | 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 | 187404 | 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 | 6604 | 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 | 6604 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 56482 | 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 | 56482 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 75691 | 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 | 75691 | 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 | 17987 | 34 | 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 | 17987 | 34 | 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 | 117128 | 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 | 117128 | 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 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 192718 | 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 | 192718 | 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 | 180766 | 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 | 180766 | 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 | 193178 | 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 | 193178 | 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 | 108568 | 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 | 108568 | 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 | 82079 | 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 | 82079 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 187184 | 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 | 187184 | 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 | 187380 | 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 | 187380 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 188402 | 38 | 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 | 188402 | 38 | 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 | 187413 | 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 | 187413 | 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 | 199866 | 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 | 199866 | 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 | 140250 | 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 | 140250 | 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 | 187181 | 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 | 187181 | 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 | 170376 | 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 | 170376 | 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 | 109477 | 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 | 109477 | 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 | 186885 | 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 | 186885 | 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 | 187225 | 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 | 187225 | 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 | 187587 | 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 | 187587 | 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 | 6515 | 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 | 6515 | 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 | 200083 | 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 | 200083 | 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 | 117115 | 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 | 117115 | 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 | 187254 | 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 | 187254 | 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 | 187668 | 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 | 187668 | 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 | 187701 | 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 | 187701 | 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 | 188438 | 19 | 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 | 188438 | 19 | 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 | 61524 | 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 | 61524 | 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 | 7385 | 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 | 7385 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 56481 | 3 | 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 | 56481 | 3 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 109360 | 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 | 109360 | 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 | 1932 | 119 | None | -53 | 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 | 1932 | 119 | None | -53 | 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 | 1932 | 119 | None | -53 | 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 | 1932 | 119 | None | -53 | 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 | 1932 | 119 | None | -53 | 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 | 1932 | 119 | None | -53 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 174302 | 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 | 174302 | 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 | 187335 | 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 | 187335 | 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 | 140197 | 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 | 140197 | 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 | 1932 | 119 | None | -102 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1932 | 119 | None | -102 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1932 | 119 | None | -102 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1932 | 119 | None | -102 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1932 | 119 | None | -102 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1932 | 119 | None | -102 | 10 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
53233803 | 61522 | 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 | 61522 | 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 | 187181 | 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 | 187181 | 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 | 140245 | 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 | 140245 | 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 | 109476 | 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 | 109476 | 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 | 109743 | 11 | 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 | 109743 | 11 | 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 | 109360 | 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 | 109360 | 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 | 187288 | 1 | 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 | 187288 | 1 | 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 | 199988 | 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 | 199988 | 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 | 5624 | 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 | 5624 | 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 | 187290 | 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 | 187290 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 199904 | 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 | 199904 | 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 | 193178 | 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 | 193178 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 195349 | 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 | 195349 | 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 | 195349 | 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 | 192718 | 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 | 192718 | 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 | 7046 | 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 | 7046 | 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 | 202158 | 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 | 202158 | 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 | 6516 | 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 | 6516 | 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 | 3195 | 19 | 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 | 3195 | 19 | 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 | 3195 | 19 | 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 | 204474 | 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 | 204474 | 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 | 204534 | 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 | 204534 | 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 | 56483 | 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 | 56483 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 187379 | 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 | 187379 | 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 | 187254 | 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 | 187254 | 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 | 171851 | 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 | 171851 | 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 | 187245 | 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 | 187245 | 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 | 1932 | 119 | None | -53 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1932 | 119 | None | -53 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1932 | 119 | None | -53 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1932 | 119 | None | -53 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1932 | 119 | None | -53 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1932 | 119 | None | -53 | 10 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
25130912 | 188739 | 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 | 188739 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 179052 | 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 | 179052 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 5642 | 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 | 5642 | 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 | 7312 | 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 | 7312 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 5150 | 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 | 5150 | 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 | 117129 | 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 | 117129 | 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 | 5713 | 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 | 5713 | 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 | 5358 | 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 | 5358 | 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 | 7394 | 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 | 7394 | 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 | 5799 | 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 | 5799 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 82078 | 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 | 82078 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 204485 | 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 | 204485 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 1932 | 119 | 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 | 56483 | 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 | 56483 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 5150 | 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 | 5150 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 180766 | 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 | 180766 | 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 | 5358 | 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 | 5358 | 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 | 7394 | 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 | 7394 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 172456 | 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 | 172456 | 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 | 187349 | 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 | 187349 | 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 | 188755 | 7 | 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 | 188755 | 7 | 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 | 82065 | 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 | 82065 | 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 | 82080 | 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 | 82080 | 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 | 199908 | 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 | 199908 | 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 | 139281 | 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 | 139281 | 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 | 172761 | 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 | 172761 | 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 | 117124 | 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 | 117124 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 108207 | 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 | 108207 | 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 | 61545 | 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 | 61545 | 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 | 117130 | 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 | 117130 | 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 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1204 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1247 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1247 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1375 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
1375 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
774 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
774 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL90 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL90 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
DB05381 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | ||
DB05381 | 1932 | 119 | None | -53 | 10 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | ||
1274 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 187701 | 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 | 187701 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 169460 | 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 | 169460 | 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 | 187249 | 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 | 187249 | 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 | 193106 | 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 | 193106 | 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 | 193106 | 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 | 193106 | 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 | 117127 | 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 | 117127 | 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 | 199679 | 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 | 199679 | 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 | 137266 | 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 | 137266 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 188871 | 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 | 188871 | 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 | 187713 | 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 | 187713 | 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 | 137285 | 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 | 137285 | 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 | 5677 | 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 | 5677 | 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 | 187334 | 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 | 187334 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 199508 | 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 | 199508 | 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 | 69740 | 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 | 69740 | 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 | 80260 | 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 | 80260 | 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 | 89725 | 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 | 89725 | 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 | 89726 | 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 | 89726 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 175303 | 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 | 175303 | 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 | 174238 | 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 | 174238 | 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 | 80347 | 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 | 80347 | 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 | 112178 | 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 | 112178 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 15769 | 4 | 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 | 15769 | 4 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 174251 | 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 | 174251 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 7976 | 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 | 7976 | 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 | 8162 | 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 | 8162 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 172541 | 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 | 172541 | 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 | 199556 | 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 | 199556 | 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 | 8274 | 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 | 8274 | 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 | 8163 | 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 | 8163 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 7912 | 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 | 7912 | 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 | 123914 | 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 | 123914 | 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 | 69738 | 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 | 69738 | 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 | 69737 | 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 | 69737 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 112176 | 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 | 112176 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 124021 | 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 | 124021 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 173409 | 9 | 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 | 173409 | 9 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 8246 | 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 | 8246 | 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 | 89729 | 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 | 89729 | 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 | 8106 | 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 | 8106 | 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 | 69739 | 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 | 69739 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 80346 | 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 | 80346 | 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 | 89728 | 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 | 89728 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 117133 | 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 | 117133 | 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 | 110133 | 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 | 110133 | 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 | 110124 | 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 | 110124 | 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 | 110126 | 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 | 110126 | 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 | 110125 | 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 | 110125 | 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 | 110147 | 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 | 110147 | 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 | 61540 | 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 | 61540 | 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 | 61539 | 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 | 61539 | 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 | 110128 | 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 | 110128 | 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 | 117112 | 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 | 117112 | 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 | 117118 | 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 | 117118 | 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 | 117121 | 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 | 117121 | 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 | 61561 | 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 | 61561 | 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 | 61529 | 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 | 61529 | 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 | 61531 | 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 | 61531 | 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 | 61552 | 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 | 61552 | 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 | 188739 | 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 | 188739 | 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 | 68048 | 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 | 68048 | 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 | 110137 | 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 | 110137 | 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 | 110140 | 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 | 110140 | 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 | 110144 | 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 | 110144 | 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 | 61537 | 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 | 61537 | 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 | 117139 | 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 | 117139 | 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 | 117142 | 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 | 117142 | 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 | 110125 | 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 | 110125 | 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 | 68101 | 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 | 68101 | 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 | 117017 | 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 | 117017 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 110141 | 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 | 110141 | 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 | 110142 | 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 | 110142 | 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 | 61519 | 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 | 61519 | 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 | 61550 | 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 | 61550 | 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 | 125051 | 4 | 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 | 125051 | 4 | 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 | 6589 | 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 | 6589 | 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 | 109798 | 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 | 109798 | 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 | 14965 | 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 | 14965 | 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 | 18875 | 5 | 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 | 18875 | 5 | 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 | 61532 | 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 | 61532 | 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 | 117136 | 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 | 117136 | 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 | 14690 | 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 | 14690 | 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 | 18940 | 6 | 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 | 18940 | 6 | 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 | 18918 | 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 | 18918 | 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 | 7291 | 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 | 7291 | 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 | 7316 | 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 | 7316 | 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 | 110134 | 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 | 110134 | 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 | 195591 | 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 | 195591 | 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 | 195591 | 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 | 61525 | 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 | 61525 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 18842 | 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 | 18842 | 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 | 19424 | 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 | 19424 | 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 | 72519 | 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 | 72519 | 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 | 97220 | 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 | 97220 | 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 | 168662 | 11 | 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 | 168662 | 11 | 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 | 110136 | 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 | 110136 | 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 | 110149 | 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 | 110149 | 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 | 110130 | 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 | 110130 | 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 | 110155 | 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 | 110155 | 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 | 141313 | 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 | 141313 | 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 | 6392 | 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 | 6392 | 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 | 115918 | 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 | 115918 | 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 | 110143 | 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 | 110143 | 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 | 19258 | 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 | 19258 | 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 | 72571 | 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 | 72571 | 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 | 117119 | 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 | 117119 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 110150 | 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 | 110150 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 68183 | 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 | 68183 | 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 | 110140 | 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 | 110140 | 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 | 7024 | 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 | 7024 | 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 | 67080 | 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 | 67080 | 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 | 114427 | 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 | 114427 | 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 | 132817 | 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 | 132817 | 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 | 6515 | 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 | 6515 | 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 | 7024 | 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 | 7024 | 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 | 8378 | 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 | 8378 | 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 | 19423 | 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 | 19423 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 140934 | 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 | 140934 | 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 | 7312 | 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 | 7312 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 19442 | 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 | 19442 | 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 | 110146 | 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 | 110146 | 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 | 61555 | 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 | 61555 | 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 | 117134 | 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 | 117134 | 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 | 117143 | 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 | 117143 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 19442 | 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 | 19442 | 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 | 118108 | 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 | 118108 | 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 | 19165 | 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 | 19165 | 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 | 116844 | 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 | 116844 | 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 | 117023 | 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 | 117023 | 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 | 68218 | 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 | 68218 | 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 | 68219 | 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 | 68219 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 195499 | 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 | 195499 | 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 | 195499 | 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 | 68212 | 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 | 68212 | 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 | 69915 | 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 | 69915 | 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 | 68220 | 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 | 68220 | 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 | 69869 | 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 | 69869 | 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 | 68210 | 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 | 68210 | 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 | 68212 | 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 | 68212 | 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 | 69902 | 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 | 69902 | 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 | 69914 | 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 | 69914 | 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 | 69867 | 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 | 69867 | 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 | 68211 | 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 | 68211 | 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 | 69912 | 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 | 69912 | 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 | 68209 | 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 | 68209 | 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 | 68209 | 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 | 68209 | 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 | 69738 | 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 | 69738 | 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 | 69903 | 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 | 69903 | 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 | 68217 | 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 | 68217 | 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 | 68210 | 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 | 68210 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 69737 | 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 | 69737 | 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 | 69904 | 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 | 69904 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 69739 | 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 | 69739 | 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 | 68211 | 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 | 68211 | 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 | 69910 | 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 | 69910 | 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 | 68216 | 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 | 68216 | 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 | 68216 | 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 | 68216 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 3804 | 49 | 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 | 69740 | 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 | 69740 | 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 | 69906 | 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 | 69906 | 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 | 69913 | 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 | 69913 | 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 | 69911 | 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 | 69911 | 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 | 68217 | 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 | 68217 | 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 | 69868 | 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 | 69868 | 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 | 2532 | 43 | None | -2 | 33 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2532 | 43 | None | -2 | 33 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2532 | 43 | None | -2 | 33 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2532 | 43 | None | -2 | 33 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2532 | 43 | None | -2 | 33 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1225 | 1471 | 26 | 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 | 1471 | 26 | 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 | 1471 | 26 | 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 | 1471 | 26 | 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 | 1471 | 26 | 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 | 173473 | 101 | None | 60 | 6 | 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 | 173473 | 101 | None | 60 | 6 | 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 | 831 | 0 | None | - | 1 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 15265943 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
51354301 | 58892 | 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 | 58892 | 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 | 75691 | 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 | 75691 | 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 | 109489 | 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 | 109489 | 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 | 45741 | 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 | 45741 | 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 | 205613 | 2 | 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 | 205613 | 2 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 46018 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 137 | 2 | 2 | 2 | 0.5 | NCC1CC1c1c[nH]cn1 | 10.1021/jm030905y | |||
CHEMBL153284 | 46018 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 137 | 2 | 2 | 2 | 0.5 | NCC1CC1c1c[nH]cn1 | 10.1021/jm030905y | |||
155524115 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
1236 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 6392 | 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 | 6392 | 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 | 7316 | 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 | 7316 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 205198 | 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 | 205198 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
24797956 | 110130 | 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 | 110130 | 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 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 8511 | 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 | 8511 | 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 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 184225 | 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 | 184225 | 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 | 184225 | 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 | 184225 | 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 | 184225 | 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 | 184225 | 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 | 196482 | 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 | 196482 | 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 | 196482 | 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 | 179925 | 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 | 179925 | 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 | 105213 | 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 | 105213 | 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 | 205244 | 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 | 205244 | 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 | 104168 | 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 | 104168 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 140238 | 3 | 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 | 140238 | 3 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 179768 | 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 | 179768 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 178353 | 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 | 178353 | 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 | 8761 | 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 | 8761 | 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 | 45928 | 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 | 45928 | 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 | 206981 | 35 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/jm030905y | |||
CHEMBL4634086 | 206981 | 35 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/jm030905y | |||
CHEMBL91353 | 206981 | 35 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 125 | 3 | 2 | 2 | 0.3 | NCCCc1c[nH]cn1 | 10.1021/jm030905y | |||
46887041 | 8760 | 1 | 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 | 8760 | 1 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1204 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
127052293 | 140238 | 3 | 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 | 140238 | 3 | 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 | 96154 | 10 | 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 | 96154 | 10 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 179770 | 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 | 179770 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 109469 | 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 | 109469 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 180766 | 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 | 180766 | 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 | 179100 | 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 | 179100 | 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 | 205284 | 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 | 205284 | 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 | 205687 | 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 | 205687 | 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 | 189694 | 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 | 189694 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
58227373 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 140247 | 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 | 140247 | 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 | 1932 | 119 | None | -12 | 24 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1247 | 1932 | 119 | None | -12 | 24 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1375 | 1932 | 119 | None | -12 | 24 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
774 | 1932 | 119 | None | -12 | 24 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
CHEMBL90 | 1932 | 119 | None | -12 | 24 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
DB05381 | 1932 | 119 | None | -12 | 24 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
45269820 | 195349 | 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 | 195349 | 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 | 195349 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 44073 | 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 | 44073 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 8763 | 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 | 8763 | 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 | 169773 | 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 | 169773 | 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 | 169201 | 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 | 169201 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 140228 | 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 | 140228 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 140200 | 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 | 140200 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
46235428 | 6604 | 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 | 6604 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 104415 | 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 | 104415 | 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 | 140228 | 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 | 140228 | 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 | 188436 | 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 | 188436 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 8509 | 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 | 8509 | 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 | 140200 | 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 | 140200 | 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 | 187254 | 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 | 187254 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 179200 | 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 | 179200 | 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 | 157365 | 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 | 157365 | 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 | 189588 | 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 | 189588 | 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 | 110125 | 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 | 110125 | 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 | 28895 | 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 | 28895 | 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 | 45760 | 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 | 45760 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
90667229 | 109470 | 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 | 109470 | 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 | 95484 | 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 | 95484 | 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 | 110568 | 8 | 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 | 110568 | 8 | 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 | 8762 | 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 | 8762 | 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 | 179052 | 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 | 179052 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 2009 | 16 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | |||
13499360 | 2009 | 16 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | |||
CHEMBL90019 | 2009 | 16 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | |||
1249 | 2009 | 16 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm030905y | |||
13499360 | 2009 | 16 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm030905y | |||
CHEMBL90019 | 2009 | 16 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm030905y | |||
1204 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.6b00120 | |||
16718567 | 8162 | 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 | 8162 | 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 | 8415 | 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 | 8415 | 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 | 61329 | 12 | 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 | 61329 | 12 | 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 | 8245 | 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 | 8245 | 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 | 183111 | 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 | 183111 | 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 | 160965 | 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 | 160965 | 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 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
3100 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
8980 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
916 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
CHEMBL657 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
DB01075 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
11709443 | 8246 | 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 | 8246 | 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 | 182159 | 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 | 182159 | 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 | 7977 | 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 | 7977 | 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 | 8163 | 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 | 8163 | 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 | 182945 | 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 | 182945 | 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 | 7970 | 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 | 7970 | 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 | 7971 | 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 | 7971 | 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 | 8275 | 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 | 8275 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 8104 | 1 | 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 | 8104 | 1 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 8346 | 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 | 8346 | 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 | 182767 | 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 | 182767 | 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 | 183434 | 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 | 183434 | 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 | 8194 | 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 | 8194 | 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 | 182719 | 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 | 182719 | 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 | 8378 | 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 | 8378 | 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 | 8244 | 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 | 8244 | 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 | 14076 | 22 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | |||
CHEMBL1197564 | 14076 | 22 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | |||
46884997 | 7720 | 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 | 7720 | 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 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
3827 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
7206 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
CHEMBL534 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
DB00920 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
20889070 | 181872 | 6 | 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 | 181872 | 6 | 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 | 102941 | 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 | 102941 | 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 | 147359 | 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 | 147359 | 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 | 7997 | 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 | 7997 | 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 | 181860 | 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 | 181860 | 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 | 182990 | 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 | 182990 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 182353 | 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 | 182353 | 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 | 182240 | 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 | 182240 | 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 | 182908 | 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 | 182908 | 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 | 7976 | 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 | 7976 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 183238 | 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 | 183238 | 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 | 7713 | 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 | 7713 | 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 | 182528 | 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 | 182528 | 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 | 182068 | 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 | 182068 | 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 | 182827 | 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 | 182827 | 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 | 8371 | 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 | 8371 | 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 | 7912 | 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 | 7912 | 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 | 181850 | 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 | 181850 | 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 | 8103 | 29 | 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 | 8103 | 29 | 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 | 183073 | 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 | 183073 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 183574 | 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 | 183574 | 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 | 183448 | 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 | 183448 | 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 | 8347 | 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 | 8347 | 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 | 183287 | 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 | 183287 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 182694 | 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 | 182694 | 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 | 183131 | 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 | 183131 | 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 | 183037 | 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 | 183037 | 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 | 182488 | 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 | 182488 | 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 | 182202 | 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 | 182202 | 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 | 182076 | 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 | 182076 | 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 | 181652 | 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 | 181652 | 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 | 182579 | 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 | 182579 | 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 | 182804 | 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 | 182804 | 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 | 8337 | 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 | 8337 | 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 | 182710 | 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 | 182710 | 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 | 182144 | 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 | 182144 | 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 | 181804 | 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 | 181804 | 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 | |||
CHEMBL5087167 | 215074 | 0 | None | - | 2 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | Cn1cc2c(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)ccnc2n1 | 10.6019/CHEMBL5058645 | |||||
89477445 | 182050 | 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 | 182050 | 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 | 183340 | 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 | 183340 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 8274 | 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 | 8274 | 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 | 8129 | 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 | 8129 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 8106 | 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 | 8106 | 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 | 8416 | 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 | 8416 | 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 | 7721 | 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 | 7721 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 89728 | 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 | 89728 | 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 | 80266 | 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 | 80266 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 958 | 93 | None | -57 | 89 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
38 | 958 | 93 | None | -57 | 89 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
722 | 958 | 93 | None | -57 | 89 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
24994634 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 80266 | 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 | 80266 | 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 | 89729 | 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 | 89729 | 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 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1247 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1375 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
774 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
CHEMBL90 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
DB05381 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
135398737 | 958 | 93 | None | -57 | 89 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
38 | 958 | 93 | None | -57 | 89 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
722 | 958 | 93 | None | -57 | 89 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
155513612 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
119570 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 192762 | 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 | 192762 | 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 | 192762 | 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 | 192766 | 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 | 192766 | 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 | 192766 | 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 | 192779 | 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 | 192779 | 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 | 192779 | 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 | 192785 | 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 | 192785 | 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 | 192785 | 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 | 192801 | 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 | 192801 | 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 | 192801 | 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 | 192803 | 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 | 192803 | 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 | 192803 | 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 | 192805 | 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 | 192805 | 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 | 192805 | 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 | 192808 | 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 | 192808 | 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 | 192808 | 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 | 192809 | 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 | 192809 | 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 | 192809 | 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 | 192826 | 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 | 192826 | 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 | 192826 | 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 | 192835 | 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 | 192835 | 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 | 192835 | 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 | 192846 | 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 | 192846 | 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 | 192846 | 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 | 192848 | 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 | 192848 | 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 | 192848 | 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 | 192851 | 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 | 192851 | 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 | 192851 | 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 | 192865 | 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 | 192865 | 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 | 192865 | 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 | 192881 | 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 | 192881 | 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 | 192881 | 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 | 192882 | 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 | 192882 | 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 | 192882 | 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 | 192893 | 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 | 192893 | 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 | 192893 | 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 | 192895 | 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 | 192895 | 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 | 192895 | 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 | 192900 | 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 | 192900 | 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 | 192900 | 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 | 192906 | 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 | 192906 | 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 | 192906 | 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 | 192910 | 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 | 192910 | 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 | 192910 | 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 | 192924 | 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 | 192924 | 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 | 192924 | 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 | 192926 | 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 | 192926 | 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 | 192926 | 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 | 192968 | 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 | 192968 | 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 | 192968 | 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 | 192973 | 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 | 192973 | 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 | 192973 | 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 | 192979 | 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 | 192979 | 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 | 192979 | 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 | 192997 | 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 | 192997 | 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 | 192997 | 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 | 193006 | 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 | 193006 | 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 | 193006 | 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 | 193010 | 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 | 193010 | 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 | 193010 | 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 | 193014 | 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 | 193014 | 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 | 193014 | 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 | 193018 | 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 | 193018 | 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 | 193018 | 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 | 193019 | 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 | 193019 | 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 | 193019 | 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 | 193020 | 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 | 193020 | 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 | 193020 | 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 | 193026 | 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 | 193026 | 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 | 193026 | 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 | 193031 | 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 | 193031 | 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 | 193031 | 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 | 193035 | 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 | 193035 | 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 | 193035 | 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 | 193040 | 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 | 193040 | 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 | 193040 | 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 | 193041 | 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 | 193041 | 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 | 193041 | 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 | 193045 | 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 | 193045 | 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 | 193045 | 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 | 193048 | 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 | 193048 | 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 | 193048 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 958 | 93 | None | -57 | 89 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
38 | 958 | 93 | None | -57 | 89 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
722 | 958 | 93 | None | -57 | 89 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
71525679 | 89726 | 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 | 89726 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 80266 | 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 | 80266 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 69740 | 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 | 69740 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
156013896 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.9b01342 | |||
156013896 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 958 | 93 | None | -57 | 89 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
38 | 958 | 93 | None | -57 | 89 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
722 | 958 | 93 | None | -57 | 89 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
11846300 | 80266 | 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 | 80266 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 89725 | 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 | 89725 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 61535 | 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 | 61535 | 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 | 68048 | 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 | 68048 | 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 | 61531 | 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 | 61531 | 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 | 6604 | 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 | 6604 | 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 | 61528 | 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 | 61528 | 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 | 68040 | 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 | 68040 | 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 | 8162 | 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 | 8162 | 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 | 68131 | 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 | 68131 | 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 | 117133 | 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 | 117133 | 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 | 68106 | 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 | 68106 | 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 | 61533 | 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 | 61533 | 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 | 68101 | 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 | 68101 | 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 | 110128 | 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 | 110128 | 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 | 1932 | 119 | None | -3 | 24 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmc.2020.115924 | |||
1223 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 61552 | 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 | 61552 | 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 | 61562 | 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 | 61562 | 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 | 136457 | 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 | 136457 | 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 | 110125 | 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 | 110125 | 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 | 117120 | 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 | 117120 | 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 | 136457 | 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 | 136457 | 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 | 68111 | 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 | 68111 | 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 | 68133 | 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 | 68133 | 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 | 140835 | 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 | 140835 | 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 | 8984 | 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 | 8984 | 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 | 110126 | 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 | 110126 | 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 | 68047 | 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 | 68047 | 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 | 68049 | 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 | 68049 | 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 | 8984 | 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 | 8984 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 110125 | 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 | 110125 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 110124 | 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 | 110124 | 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 | 5890 | 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 | 5890 | 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 | 193178 | 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 | 193178 | 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 | 110143 | 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 | 110143 | 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 | 5890 | 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 | 5890 | 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 | 199556 | 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 | 199556 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 195499 | 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 | 195499 | 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 | 195499 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 68218 | 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 | 68218 | 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 | 110151 | 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 | 110151 | 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 | 110132 | 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 | 110132 | 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 | 7785 | 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 | 7785 | 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 | 187414 | 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 | 187414 | 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 | 68212 | 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 | 68212 | 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 | 112170 | 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 | 112170 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 4063 | 16 | 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 | 4063 | 16 | 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 | 4063 | 16 | 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 | 204534 | 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 | 204534 | 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 | 89646 | 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 | 89646 | 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 | 89671 | 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 | 89671 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 2009 | 16 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | |||
13499360 | 2009 | 16 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | |||
CHEMBL90019 | 2009 | 16 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm0504353 | |||
53233802 | 61547 | 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 | 61547 | 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 | 75683 | 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 | 75683 | 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 | 199429 | 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 | 199429 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 196014 | 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 | 196014 | 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 | 196014 | 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 | 196015 | 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 | 196015 | 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 | 196015 | 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 | 196482 | 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 | 196482 | 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 | 196482 | 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 | 68129 | 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 | 68129 | 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 | 68136 | 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 | 68136 | 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 | 68139 | 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 | 68139 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 89731 | 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 | 89731 | 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 | 89725 | 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 | 89725 | 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 | 193106 | 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 | 193106 | 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 | 56480 | 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 | 56480 | 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 | 199508 | 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 | 199508 | 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 | 75799 | 4 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 167 | 6 | 2 | 2 | 1.3 | CCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | |||
CHEMBL204843 | 75799 | 4 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 167 | 6 | 2 | 2 | 1.3 | CCNCCCCc1c[nH]cn1 | 10.1021/jm0504353 | |||
11521414 | 141297 | 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 | 141297 | 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 | 205244 | 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 | 205244 | 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 | 61525 | 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 | 61525 | 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 | 75680 | 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 | 75680 | 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 | 75688 | 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 | 75688 | 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 | 58887 | 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 | 58887 | 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 | 196202 | 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 | 196202 | 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 | 196202 | 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 | 110145 | 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 | 110145 | 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 | 75644 | 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 | 75644 | 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 | 67062 | 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 | 67062 | 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 | 5150 | 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 | 5150 | 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 | 89658 | 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 | 89658 | 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 | 89669 | 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 | 89669 | 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 | 18945 | 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 | 18945 | 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 | 75639 | 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 | 75639 | 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 | 75659 | 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 | 75659 | 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 | 104168 | 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 | 104168 | 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 | 7025 | 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 | 7025 | 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 | 98970 | 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 | 98970 | 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 | 117432 | 12 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 229 | 2 | 1 | 2 | 1.9 | CN1CCN(Cc2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | |||
CHEMBL339826 | 117432 | 12 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 229 | 2 | 1 | 2 | 1.9 | CN1CCN(Cc2cc3ccccc3[nH]2)CC1 | 10.1021/jm0341047 | |||
71681978 | 89653 | 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 | 89653 | 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 | 117135 | 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 | 117135 | 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 | 69902 | 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 | 69902 | 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 | 80266 | 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 | 80266 | 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 | 96122 | 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 | 96122 | 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 | 138611 | 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 | 138611 | 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 | 68100 | 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 | 68100 | 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 | 173831 | 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 | 173831 | 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 | 179309 | 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 | 179309 | 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 | 186786 | 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 | 186786 | 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 | 173831 | 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 | 173831 | 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 | 186786 | 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 | 186786 | 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 | 86487 | 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 | 86487 | 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 | 5150 | 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 | 5150 | 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 | 67884 | 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 | 67884 | 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 | 68119 | 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 | 68119 | 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 | 140228 | 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 | 140228 | 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 | 63120 | 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 | 63120 | 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 | 63120 | 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 | 112190 | 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 | 112190 | 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 | 16421 | 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 | 16421 | 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 | 166487 | 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 | 166487 | 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 | 174239 | 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 | 174239 | 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 | 174239 | 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 | 174239 | 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 | 172908 | 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 | 172908 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 12398 | 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 | 12398 | 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 | 12398 | 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 | 12398 | 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 | 138716 | 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 | 138716 | 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 | 61548 | 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 | 61548 | 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 | 187588 | 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 | 187588 | 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 | 69728 | 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 | 69728 | 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 | 117116 | 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 | 117116 | 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 | 158650 | 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 | 158650 | 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 | 137417 | 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 | 137417 | 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 | 112171 | 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 | 112171 | 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 | 156111 | 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 | 156111 | 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 | 117017 | 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 | 117017 | 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 | 117017 | 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 | 117017 | 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 | 3846 | 26 | 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 | 3846 | 26 | 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 | 3846 | 26 | 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 | 3846 | 26 | 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 | 150329 | 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 | 150329 | 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 | 193106 | 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 | 193106 | 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 | 115913 | 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 | 115913 | 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 | 68134 | 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 | 68134 | 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 | 117017 | 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 | 117017 | 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 | 110136 | 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 | 110136 | 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 | 89721 | 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 | 89721 | 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 | 199199 | 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 | 199199 | 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 | 89718 | 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 | 89718 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 96534 | 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 | 96534 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 160963 | 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 | 160963 | 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 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
3100 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
8980 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
916 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
CHEMBL657 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
DB01075 | 1432 | 83 | None | -194 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | |||
1241 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 69722 | 15 | 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 | 69722 | 15 | 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 | 58905 | 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 | 58905 | 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 | 185932 | 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 | 185932 | 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 | 186019 | 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 | 186019 | 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 | 176385 | 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 | 176385 | 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 | 176385 | 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 | 123918 | 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 | 123918 | 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 | 58882 | 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 | 58882 | 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 | 58902 | 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 | 58902 | 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 | 77948 | 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 | 77948 | 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 | 61549 | 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 | 61549 | 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 | 117122 | 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 | 117122 | 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 | 96341 | 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 | 96341 | 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 | 8091 | 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 | 8091 | 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 | 75016 | 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 | 75016 | 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 | 80118 | 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 | 80118 | 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 | 5496 | 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 | 5496 | 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 | 5496 | 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 | 117123 | 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 | 117123 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 112188 | 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 | 112188 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 110142 | 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 | 110142 | 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 | 68107 | 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 | 68107 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm1013488 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014217 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm901379s | |||
155513612 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 89714 | 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 | 89714 | 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 | 89732 | 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 | 89732 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1249 | 2009 | 16 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 2058 | 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 | 2058 | 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 | 2058 | 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 | 169016 | 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 | 169016 | 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 | 169016 | 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 | 169016 | 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 | 169016 | 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 | 169016 | 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 | 2058 | 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 | 2058 | 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 | 2058 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm060880d | |||
11065080 | 19434 | 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 | 19434 | 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 | 75668 | 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 | 75668 | 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 | 188658 | 5 | 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 | 188658 | 5 | 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 | 199534 | 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 | 199534 | 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 | 4063 | 16 | 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 | 4063 | 16 | 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 | 4063 | 16 | 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 | 194907 | 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 | 194907 | 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 | 194907 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 2009 | 16 | 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 | 192717 | 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 | 192717 | 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 | 140315 | 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 | 140315 | 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 | 68045 | 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 | 68045 | 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 | 202612 | 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 | 202612 | 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 | 174724 | 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 | 174724 | 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 | 193041 | 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 | 193041 | 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 | 193041 | 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 | 184838 | 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 | 184838 | 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 | 5799 | 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 | 5799 | 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 | 68121 | 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 | 68121 | 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 | 6280 | 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 | 6280 | 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 | 6280 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 6280 | 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 | 6280 | 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 | 6280 | 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 | 104415 | 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 | 104415 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 10381 | 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 | 10381 | 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 | 16036 | 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 | 16036 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 68143 | 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 | 68143 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 204474 | 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 | 204474 | 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 | 71612 | 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 | 71612 | 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 | 71612 | 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 | 76211 | 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 | 76211 | 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 | 76673 | 3 | 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 | 76673 | 3 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 109271 | 10 | 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 | 109271 | 10 | 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 | 93612 | 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 | 93612 | 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 | 89650 | 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 | 89650 | 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 | 89665 | 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 | 89665 | 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 | 205284 | 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 | 205284 | 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 | 5362 | 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 | 5362 | 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 | 56479 | 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 | 56479 | 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 | 193018 | 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 | 193018 | 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 | 193018 | 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 | 75645 | 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 | 75645 | 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 | 115912 | 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 | 115912 | 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 | 112172 | 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 | 112172 | 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 | 80347 | 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 | 80347 | 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 | 61553 | 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 | 61553 | 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 | 68211 | 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 | 68211 | 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 | 68211 | 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 | 68211 | 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 | 172591 | 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 | 172591 | 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 | 172591 | 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 | 172591 | 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 | 68117 | 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 | 68117 | 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 | 96111 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 321 | 3 | 0 | 6 | 2.6 | CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL260274 | 96111 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 321 | 3 | 0 | 6 | 2.6 | CN1CCN(c2nc3ccccc3nc2Oc2cccnc2)CC1 | 10.1021/jm7014217 | |||
164619208 | 185662 | 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 | 185662 | 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 | 5362 | 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 | 5362 | 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 | 69867 | 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 | 69867 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 68123 | 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 | 68123 | 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 | 176463 | 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 | 176463 | 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 | 176463 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm7014777 | |||
16082856 | 81113 | 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 | 81113 | 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 | 16758 | 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 | 16758 | 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 | 159003 | 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 | 159003 | 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 | 117185 | 13 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | |||
CHEMBL339414 | 117185 | 13 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 0 | 0 | 4 | 3.1 | CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | 10.1021/jm051008s | |||
11240759 | 105213 | 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 | 105213 | 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 | 96075 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 326 | 3 | 0 | 5 | 3.1 | CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1 | 10.1021/jm7014217 | |||
CHEMBL260043 | 96075 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 326 | 3 | 0 | 5 | 3.1 | CN1CCN(c2nc3ccccc3nc2OC2CCCCC2)CC1 | 10.1021/jm7014217 | |||
54584378 | 63159 | 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 | 63159 | 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 | 63159 | 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 | 186378 | 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 | 186378 | 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 | 61546 | 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 | 61546 | 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 | 63159 | 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 | 63159 | 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 | 63159 | 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 | 7373 | 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 | 7373 | 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 | 176038 | 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 | 176038 | 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 | 117126 | 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 | 117126 | 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 | 71613 | 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 | 71613 | 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 | 71613 | 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 | 173413 | 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 | 173413 | 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 | 173413 | 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 | 173413 | 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 | 185098 | 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 | 185098 | 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 | 185942 | 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 | 185942 | 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 | 186335 | 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 | 186335 | 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 | 56479 | 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 | 56479 | 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 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1247 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1375 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
774 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
CHEMBL90 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
DB05381 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
11609325 | 14530 | 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 | 14530 | 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 | 68095 | 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 | 68095 | 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 | 200016 | 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 | 200016 | 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 | 68124 | 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 | 68124 | 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 | 89726 | 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 | 89726 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 96137 | 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 | 96137 | 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 | 80019 | 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 | 80019 | 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 | 137358 | 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 | 137358 | 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 | 184584 | 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 | 184584 | 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 | 68187 | 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 | 68187 | 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 | 19424 | 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 | 19424 | 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 | 19424 | 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 | 19424 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 6392 | 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 | 6392 | 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 | 19424 | 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 | 19424 | 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 | 178240 | 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 | 178240 | 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 | 178240 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 2009 | 16 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | |||
13499360 | 2009 | 16 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | |||
CHEMBL90019 | 2009 | 16 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 139 | 4 | 2 | 2 | 0.7 | NCCCCc1cnc[nH]1 | 10.1021/jm049932u | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm030905y | |||
137655927 | 158888 | 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 | 158888 | 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 | 89720 | 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 | 89720 | 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 | 61551 | 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 | 61551 | 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 | 189346 | 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 | 189346 | 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 | 58896 | 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 | 58896 | 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 | 86469 | 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 | 86469 | 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 | 86495 | 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 | 86495 | 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 | 178277 | 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 | 178277 | 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 | 178277 | 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 | 97020 | 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 | 97020 | 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 | 67883 | 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 | 67883 | 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 | 117109 | 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 | 117109 | 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 | 79980 | 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 | 79980 | 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 | 199859 | 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 | 199859 | 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 | 87008 | 12 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1039/C5MD00022J | |||
CHEMBL232421 | 87008 | 12 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 268 | 1 | 0 | 5 | 2.1 | CN1CCN(c2ncnc3c2oc2ccccc23)CC1 | 10.1039/C5MD00022J | |||
127036980 | 137346 | 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 | 137346 | 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 | 68120 | 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 | 68120 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 199866 | 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 | 199866 | 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 | 5500 | 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 | 5500 | 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 | 5500 | 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 | 166692 | 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 | 166692 | 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 | 116835 | 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 | 116835 | 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 | 116835 | 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 | 116835 | 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 | 136617 | 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 | 136617 | 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 | 71625 | 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 | 71625 | 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 | 71625 | 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 | 112184 | 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 | 112184 | 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 | 193227 | 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 | 193227 | 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 | 156131 | 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 | 156131 | 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 | 193227 | 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 | 193227 | 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 | 185616 | 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 | 185616 | 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 | 61527 | 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 | 61527 | 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 | 200434 | 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 | 200434 | 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 | 200434 | 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 | 10380 | 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 | 10380 | 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 | 68147 | 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 | 68147 | 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 | 118108 | 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 | 118108 | 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 | 168662 | 11 | 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 | 168662 | 11 | 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 | 118108 | 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 | 118108 | 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 | 168662 | 11 | 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 | 168662 | 11 | 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 | 69736 | 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 | 69736 | 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 | 61545 | 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 | 61545 | 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 | 118108 | 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 | 118108 | 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 | 168662 | 11 | 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 | 168662 | 11 | 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 | 89729 | 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 | 89729 | 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 | 69740 | 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 | 69740 | 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 | 89717 | 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 | 89717 | 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 | 187481 | 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 | 187481 | 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 | 199201 | 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 | 199201 | 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 | 56483 | 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 | 56483 | 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 | 173409 | 9 | 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 | 173409 | 9 | 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 | 56483 | 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 | 56483 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C5MD00022J | |||
1223 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201042n | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 19442 | 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 | 19442 | 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 | 75687 | 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 | 75687 | 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 | 168662 | 11 | 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 | 168662 | 11 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 195349 | 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 | 195349 | 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 | 195349 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 187583 | 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 | 187583 | 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 | 199988 | 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 | 199988 | 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 | 7368 | 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 | 7368 | 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 | 199386 | 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 | 199386 | 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 | 137450 | 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 | 137450 | 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 | 179097 | 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 | 179097 | 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 | 58886 | 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 | 58886 | 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 | 6603 | 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 | 6603 | 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 | 63165 | 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 | 63165 | 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 | 63165 | 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 | 176874 | 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 | 176874 | 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 | 179309 | 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 | 179309 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 115919 | 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 | 115919 | 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 | 167427 | 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 | 167427 | 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 | 63165 | 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 | 63165 | 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 | 63165 | 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 | 63172 | 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 | 63172 | 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 | 63172 | 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 | 140315 | 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 | 140315 | 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 | 63172 | 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 | 63172 | 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 | 63172 | 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 | 68144 | 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 | 68144 | 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 | 68109 | 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 | 68109 | 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 | 68126 | 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 | 68126 | 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 | 199900 | 14 | 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 | 199900 | 14 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 169016 | 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 | 169016 | 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 | 75020 | 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 | 75020 | 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 | 140544 | 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 | 140544 | 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 | 75640 | 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 | 75640 | 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 | 75646 | 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 | 75646 | 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 | 196183 | 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 | 196183 | 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 | 196183 | 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 | 196230 | 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 | 196230 | 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 | 1932 | 119 | None | -3 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
127050019 | 140765 | 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 | 140765 | 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 | 45 | 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 | 45 | 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 | 45 | 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 | 137285 | 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 | 137285 | 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 | 75678 | 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 | 75678 | 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 | 96295 | 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 | 96295 | 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 | 67877 | 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 | 67877 | 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 | 35336 | 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 | 35336 | 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 | 75676 | 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 | 75676 | 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 | 110154 | 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 | 110154 | 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 | 68209 | 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 | 68209 | 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 | 69740 | 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 | 69740 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 115914 | 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 | 115914 | 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 | 117117 | 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 | 117117 | 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 | 68209 | 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 | 68209 | 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 | 68184 | 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 | 68184 | 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 | 71641 | 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 | 71641 | 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 | 71641 | 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 | 89722 | 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 | 89722 | 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 | 199904 | 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 | 199904 | 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 | 172541 | 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 | 172541 | 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 | 68317 | 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 | 68317 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 61543 | 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 | 61543 | 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 | 6249 | 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 | 6249 | 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 | 6249 | 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 | 91870 | 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 | 91870 | 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 | 65629 | 6 | 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 | 10.6019/CHEMBL5212743 | |||
CHEMBL1834199 | 65629 | 6 | 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 | 10.6019/CHEMBL5212743 | |||
137634349 | 156015 | 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 | 156015 | 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 | 186473 | 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 | 186473 | 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 | 176152 | 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 | 176152 | 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 | 95978 | 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 | 95978 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 16754 | 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 | 16754 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 69731 | 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 | 69731 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 199428 | 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 | 199428 | 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 | 184562 | 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 | 184562 | 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 | 86484 | 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 | 86484 | 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 | 137276 | 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 | 137276 | 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 | 180509 | 9 | 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 | 180509 | 9 | 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 | 184716 | 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 | 184716 | 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 | 157820 | 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 | 157820 | 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 | 69740 | 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 | 69740 | 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 | 112174 | 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 | 112174 | 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 | 7369 | 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 | 7369 | 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 | 117114 | 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 | 117114 | 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 | 80092 | 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 | 80092 | 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 | 199389 | 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 | 199389 | 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 | 958 | 93 | None | -57 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
38 | 958 | 93 | None | -57 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
722 | 958 | 93 | None | -57 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm051008s | |||
10575070 | 67881 | 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 | 67881 | 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 | 185862 | 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 | 185862 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 123917 | 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 | 123917 | 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 | 112189 | 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 | 112189 | 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 | 68220 | 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 | 68220 | 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 | 199904 | 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 | 199904 | 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 | 68114 | 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 | 68114 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 15495 | 24 | 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 | 15495 | 24 | 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 | 140302 | 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 | 140302 | 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 | 68116 | 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 | 68116 | 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 | 58883 | 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 | 58883 | 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 | 177122 | 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 | 177122 | 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 | 58885 | 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 | 58885 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 199817 | 33 | 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 | 199817 | 33 | 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 | 174251 | 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 | 174251 | 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 | 176616 | 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 | 176616 | 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 | 176616 | 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 | 187481 | 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 | 187481 | 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 | 174233 | 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 | 174233 | 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 | 193273 | 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 | 193273 | 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 | 174233 | 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 | 174233 | 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 | 193273 | 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 | 193273 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 213975 | 10 | 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 | 10.6019/CHEMBL5212743 | |||||
54581937 | 61523 | 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 | 61523 | 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 | 157738 | 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 | 157738 | 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 | 116844 | 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 | 116844 | 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 | 116844 | 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 | 116844 | 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 | 69732 | 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 | 69732 | 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 | 115918 | 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 | 115918 | 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 | 115918 | 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 | 115918 | 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 | 68053 | 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 | 68053 | 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 | 68112 | 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 | 68112 | 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 | 114427 | 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 | 114427 | 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 | 116844 | 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 | 116844 | 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 | 8378 | 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 | 8378 | 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 | 199383 | 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 | 199383 | 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 | 89728 | 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 | 89728 | 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 | 56481 | 3 | 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 | 56481 | 3 | 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 | 56482 | 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 | 56482 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 139262 | 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 | 139262 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 75650 | 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 | 75650 | 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 | 75690 | 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 | 75690 | 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 | 116844 | 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 | 116844 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C2MD20212C | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 139281 | 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 | 139281 | 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 | 176329 | 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 | 176329 | 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 | 176329 | 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 | 184454 | 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 | 184454 | 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 | 185088 | 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 | 185088 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 178246 | 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 | 178246 | 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 | 178246 | 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 | 137467 | 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 | 137467 | 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 | 68170 | 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 | 68170 | 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 | 69903 | 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 | 69903 | 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 | 56481 | 3 | 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 | 56481 | 3 | 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 | 66899 | 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 | 66899 | 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 | 5209 | 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 | 5209 | 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 | 958 | 93 | None | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | |||
38 | 958 | 93 | None | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | |||
722 | 958 | 93 | None | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm201042n | |||
11572015 | 75030 | 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 | 75030 | 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 | 76049 | 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 | 76049 | 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 | 65123 | 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 | 65123 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 187414 | 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 | 187414 | 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 | 75670 | 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 | 75670 | 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 | 96017 | 5 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.7 | Cc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | |||
CHEMBL259745 | 96017 | 5 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 242 | 1 | 0 | 4 | 1.7 | Cc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | |||
155550732 | 176629 | 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 | 176629 | 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 | 176629 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 89661 | 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 | 89661 | 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 | 69866 | 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 | 69866 | 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 | 75636 | 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 | 75636 | 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 | 75648 | 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 | 75648 | 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 | 66940 | 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 | 66940 | 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 | 5290 | 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 | 5290 | 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 | 109629 | 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 | 109629 | 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 | 137518 | 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 | 137518 | 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 | 184544 | 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 | 184544 | 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 | 61524 | 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 | 61524 | 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 | 61561 | 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 | 61561 | 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 | 115921 | 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 | 115921 | 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 | 117112 | 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 | 117112 | 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 | 117125 | 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 | 117125 | 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 | 117130 | 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 | 117130 | 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 | 8163 | 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 | 8163 | 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 | 68132 | 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 | 68132 | 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 | 68138 | 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 | 68138 | 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 | 110148 | 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 | 110148 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 110147 | 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 | 110147 | 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 | 68050 | 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 | 68050 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 7785 | 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 | 7785 | 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 | 5599 | 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 | 5599 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 159587 | 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 | 159587 | 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 | 110133 | 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 | 110133 | 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 | 187254 | 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 | 187254 | 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 | 6516 | 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 | 6516 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 110122 | 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 | 110122 | 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 | 110125 | 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 | 110125 | 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 | 68130 | 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 | 68130 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 3125 | 71 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | |||
2172 | 3125 | 71 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | |||
90 | 3125 | 71 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | |||
CHEMBL1423 | 3125 | 71 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | |||
DB01100 | 3125 | 71 | None | -562 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1016/j.ejmech.2016.09.074 | |||
9904236 | 14076 | 22 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | |||
CHEMBL1197564 | 14076 | 22 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 1 | 3 | 3.7 | O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 | nan | |||
46890589 | 7022 | 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 | 7022 | 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 | 68319 | 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 | 68319 | 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 | 68320 | 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 | 68320 | 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 | 68325 | 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 | 68325 | 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 | 69864 | 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 | 69864 | 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 | 118441 | 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 | 118441 | 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 | 112176 | 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 | 112176 | 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 | 176636 | 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 | 176636 | 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 | 176636 | 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 | 176472 | 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 | 176472 | 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 | 176472 | 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 | 96311 | 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 | 96311 | 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 | 203649 | 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 | 203649 | 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 | 110309 | 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 | 110309 | 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 | 96311 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1021/jm7014217 | |||
CHEMBL261320 | 96311 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2nccc3ccccc23)CC1 | 10.1021/jm7014217 | |||
10879463 | 5290 | 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 | 5290 | 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 | 202145 | 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 | 202145 | 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 | 200178 | 18 | 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 | 200178 | 18 | 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 | 58904 | 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 | 58904 | 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 | 69909 | 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 | 69909 | 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 | 149129 | 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 | 149129 | 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 | 110140 | 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 | 110140 | 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 | 117107 | 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 | 117107 | 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 | 110140 | 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 | 110140 | 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 | 110141 | 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 | 110141 | 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 | 68098 | 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 | 68098 | 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 | 68103 | 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 | 68103 | 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 | 68118 | 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 | 68118 | 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 | 72571 | 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 | 72571 | 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 | 58898 | 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 | 58898 | 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 | 89723 | 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 | 89723 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
3827 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
7206 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
CHEMBL534 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
DB00920 | 2182 | 50 | None | -21379 | 21 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
57399107 | 68214 | 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 | 68214 | 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 | 68214 | 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 | 68214 | 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 | 68214 | 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 | 68214 | 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 | 68215 | 14 | 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 | 68215 | 14 | 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 | 68215 | 14 | 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 | 68215 | 14 | 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 | 192766 | 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 | 192766 | 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 | 192766 | 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 | 180509 | 9 | 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 | 180509 | 9 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
164610824 | 185110 | 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 | 185110 | 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 | 109629 | 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 | 109629 | 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 | 159526 | 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 | 159526 | 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 | 10902 | 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 | 10902 | 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 | 117108 | 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 | 117108 | 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 | 1932 | 119 | None | -3 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
155567030 | 176417 | 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 | 176417 | 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 | 176417 | 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 | 155723 | 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 | 155723 | 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 | 58903 | 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 | 58903 | 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 | 108568 | 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 | 108568 | 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 | 10384 | 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 | 10384 | 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 | 140238 | 3 | 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 | 140238 | 3 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 84229 | 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 | 84229 | 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 | 202379 | 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 | 202379 | 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 | 69724 | 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 | 69724 | 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 | 174231 | 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 | 174231 | 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 | 174231 | 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 | 174231 | 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 | 199509 | 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 | 199509 | 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 | 5209 | 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 | 5209 | 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 | 124020 | 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 | 124020 | 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 | 67878 | 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 | 67878 | 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 | 185260 | 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 | 185260 | 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 | 6537 | 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 | 6537 | 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 | 71629 | 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 | 71629 | 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 | 71629 | 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 | 96031 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 3 | 0 | 5 | 1.8 | CCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | |||
CHEMBL259839 | 96031 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 3 | 0 | 5 | 1.8 | CCOc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | |||
24278976 | 96251 | 61 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2nc3ccccc3nc2Cl)CC1 | 10.1021/jm7014217 | |||
CHEMBL261010 | 96251 | 61 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 1 | 0 | 4 | 2.0 | CN1CCN(c2nc3ccccc3nc2Cl)CC1 | 10.1021/jm7014217 | |||
24854704 | 96134 | 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 | 96134 | 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 | 19165 | 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 | 19165 | 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 | 19165 | 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 | 19165 | 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 | 69740 | 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 | 69740 | 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 | 14965 | 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 | 14965 | 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 | 19165 | 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 | 19165 | 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 | 199908 | 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 | 199908 | 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 | 68322 | 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 | 68322 | 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 | 144097 | 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 | 144097 | 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 | 144774 | 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 | 144774 | 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 | 7242 | 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 | 7242 | 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 | 69725 | 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 | 69725 | 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 | 192835 | 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 | 192835 | 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 | 192835 | 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 | 96223 | 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 | 96223 | 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 | 96298 | 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 | 96298 | 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 | 185133 | 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 | 185133 | 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 | 68326 | 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 | 68326 | 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 | 112182 | 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 | 112182 | 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 | 112182 | 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 | 112182 | 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 | 200176 | 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 | 200176 | 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 | 186938 | 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 | 186938 | 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 | 112179 | 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 | 112179 | 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 | 69730 | 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 | 69730 | 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 | 61559 | 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 | 61559 | 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 | 174238 | 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 | 174238 | 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 | 207031 | 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 | 207031 | 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 | 140200 | 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 | 140200 | 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 | 117140 | 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 | 117140 | 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 | 69031 | 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 | 69031 | 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 | 150652 | 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 | 150652 | 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 | 79057 | 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 | 79057 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 123920 | 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 | 123920 | 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 | 173655 | 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 | 173655 | 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 | 199867 | 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 | 199867 | 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 | 11265 | 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 | 11265 | 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 | 11265 | 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 | 61536 | 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 | 61536 | 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 | 199908 | 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 | 199908 | 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 | 110127 | 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 | 110127 | 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 | 110134 | 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 | 110134 | 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 | 68141 | 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 | 68141 | 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 | 125051 | 4 | 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 | 125051 | 4 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 104195 | 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 | 104195 | 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 | 204481 | 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 | 204481 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
71681476 | 89656 | 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 | 89656 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 19165 | 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 | 19165 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 75647 | 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 | 75647 | 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 | 89730 | 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 | 89730 | 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 | 80266 | 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 | 80266 | 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 | 195050 | 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 | 195050 | 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 | 195050 | 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 | 195472 | 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 | 195472 | 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 | 195503 | 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 | 195503 | 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 | 195503 | 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 | 195591 | 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 | 195591 | 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 | 195591 | 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 | 196040 | 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 | 196040 | 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 | 196040 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
1274 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 118108 | 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 | 118108 | 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 | 188658 | 5 | 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 | 188658 | 5 | 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 | 140302 | 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 | 140302 | 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 | 137881 | 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 | 137881 | 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 | 137881 | 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 | 137881 | 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 | 68167 | 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 | 68167 | 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 | 199948 | 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 | 199948 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 2015 | 20 | 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 | 2017 | 21 | 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 | 2017 | 21 | 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 | 2017 | 21 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2017 | 21 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/jm0504353 | |||
9793868 | 2017 | 21 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/jm0504353 | |||
CHEMBL417096 | 2017 | 21 | None | -100 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 153 | 5 | 2 | 2 | 1.1 | NCCCCCc1cnc[nH]1 | 10.1021/jm0504353 | |||
81371 | 12770 | 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 | 12770 | 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 | 12770 | 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 | 75633 | 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 | 75633 | 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 | 75669 | 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 | 75669 | 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 | 75675 | 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 | 75675 | 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 | 75689 | 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 | 75689 | 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 | 58910 | 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 | 58910 | 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 | 56477 | 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 | 56477 | 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 | 56477 | 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 | 109360 | 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 | 109360 | 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 | 89663 | 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 | 89663 | 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 | 75632 | 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 | 75632 | 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 | 75657 | 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 | 75657 | 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 | 156317 | 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 | 156317 | 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 | 109360 | 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 | 109360 | 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 | 66703 | 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 | 66703 | 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 | 66790 | 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 | 66790 | 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 | 125517 | 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 | 125517 | 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 | 140121 | 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 | 140121 | 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 | 86490 | 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 | 86490 | 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 | 123924 | 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 | 123924 | 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 | 123914 | 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 | 123914 | 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 | 61521 | 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 | 61521 | 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 | 110131 | 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 | 110131 | 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 | 186937 | 1 | 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 | 186937 | 1 | 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 | 186937 | 1 | 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 | 186937 | 1 | 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 | 123922 | 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 | 123922 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 6589 | 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 | 6589 | 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 | 84263 | 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 | 84263 | 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 | 69910 | 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 | 69910 | 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 | 84263 | 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 | 84263 | 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 | 141977 | 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 | 141977 | 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 | 68099 | 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 | 68099 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 96132 | 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 | 96132 | 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 | 174238 | 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 | 174238 | 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 | 200975 | 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 | 200975 | 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 | 18852 | 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 | 18852 | 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 | 176324 | 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 | 176324 | 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 | 176324 | 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 | 186083 | 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 | 186083 | 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 | 137489 | 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 | 137489 | 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 | 86497 | 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 | 86497 | 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 | 123921 | 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 | 123921 | 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 | 175376 | 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 | 175376 | 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 | 86494 | 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 | 86494 | 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 | 69904 | 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 | 69904 | 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 | 136861 | 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 | 136861 | 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 | 189085 | 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 | 189085 | 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 | 202598 | 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 | 202598 | 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 | 160171 | 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 | 160171 | 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 | 176386 | 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 | 176386 | 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 | 176386 | 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 | 96222 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.4 | CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL260850 | 96222 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.4 | CCN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | |||
164616851 | 184950 | 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 | 184950 | 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 | 159353 | 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 | 159353 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 148563 | 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 | 148563 | 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 | 97220 | 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 | 97220 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 89728 | 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 | 89728 | 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 | 78009 | 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 | 78009 | 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 | 68173 | 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 | 68173 | 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 | 58894 | 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 | 58894 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 67882 | 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 | 67882 | 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 | 173264 | 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 | 173264 | 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 | 61522 | 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 | 61522 | 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 | 84843 | 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 | 84843 | 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 | 110146 | 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 | 110146 | 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 | 80266 | 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 | 80266 | 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 | 80266 | 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 | 80266 | 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 | 179281 | 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 | 179281 | 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 | 179281 | 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 | 179281 | 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 | 178320 | 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 | 178320 | 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 | 178320 | 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 | 199943 | 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 | 199943 | 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 | 172843 | 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 | 172843 | 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 | 140934 | 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 | 140934 | 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 | 79852 | 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 | 79852 | 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 | 79852 | 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 | 69734 | 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 | 69734 | 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 | 61530 | 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 | 61530 | 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 | 68110 | 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 | 68110 | 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 | 89729 | 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 | 89729 | 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 | 71627 | 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 | 71627 | 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 | 71627 | 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 | 140245 | 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 | 140245 | 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 | 5981 | 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 | 5981 | 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 | 5981 | 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 | 179350 | 12 | 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 | 179350 | 12 | 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 | 200054 | 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 | 200054 | 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 | 69021 | 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 | 69021 | 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 | 86483 | 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 | 86483 | 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 | 173469 | 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 | 173469 | 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 | 178244 | 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 | 178244 | 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 | 178244 | 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 | 155195 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL402470 | 155195 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
24854702 | 96057 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL259955 | 96057 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 | 10.1021/jm7014217 | |||
24853592 | 156157 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 7 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL406380 | 156157 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 7 | 0 | 5 | 3.8 | CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
122193104 | 123888 | 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 | 123888 | 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 | 156272 | 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 | 156272 | 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 | 61526 | 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 | 61526 | 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 | 61529 | 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 | 61529 | 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 | 61537 | 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 | 61537 | 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 | 61558 | 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 | 61558 | 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 | 117128 | 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 | 117128 | 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 | 72519 | 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 | 72519 | 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 | 61529 | 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 | 61529 | 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 | 61561 | 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 | 61561 | 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 | 89673 | 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 | 89673 | 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 | 187414 | 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 | 187414 | 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 | 7746 | 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 | 7746 | 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 | 19442 | 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 | 19442 | 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 | 7316 | 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 | 7316 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 89715 | 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 | 89715 | 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 | 191386 | 10 | 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 | 191386 | 10 | 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 | 140849 | 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 | 140849 | 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 | 68054 | 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 | 68054 | 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 | 68127 | 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 | 68127 | 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 | 192718 | 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 | 192718 | 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 | 192718 | 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 | 192718 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 68096 | 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 | 68096 | 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 | 193106 | 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 | 193106 | 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 | 176451 | 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 | 176451 | 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 | 176451 | 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 | 188438 | 19 | 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 | 188438 | 19 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 188658 | 5 | 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 | 188658 | 5 | 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 | 110137 | 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 | 110137 | 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 | 68105 | 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 | 68105 | 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 | 141313 | 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 | 141313 | 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 | 89713 | 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 | 89713 | 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 | 77952 | 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 | 77952 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 18945 | 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 | 18945 | 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 | 18945 | 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 | 18945 | 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 | 157967 | 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 | 157967 | 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 | 155976 | 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 | 155976 | 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 | 185452 | 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 | 185452 | 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 | 186069 | 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 | 186069 | 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 | 186565 | 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 | 186565 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 176384 | 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 | 176384 | 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 | 176384 | 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 | 201027 | 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 | 201027 | 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 | 139220 | 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 | 139220 | 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 | 19258 | 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 | 19258 | 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 | 19258 | 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 | 19258 | 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 | 188402 | 38 | 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 | 188402 | 38 | 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 | 68140 | 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 | 68140 | 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 | 19258 | 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 | 19258 | 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 | 139057 | 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 | 139057 | 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 | 56482 | 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 | 56482 | 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 | 18940 | 6 | 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 | 18940 | 6 | 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 | 206981 | 35 | 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 | 206981 | 35 | 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 | 206981 | 35 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 206981 | 35 | 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 | 206981 | 35 | 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 | 206981 | 35 | 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 | 89648 | 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 | 89648 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 71630 | 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 | 71630 | 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 | 71630 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 75637 | 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 | 75637 | 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 | 75638 | 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 | 75638 | 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 | 75671 | 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 | 75671 | 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 | 75686 | 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 | 75686 | 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 | 118108 | 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 | 118108 | 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 | 196010 | 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 | 196010 | 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 | 196010 | 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 | 16759 | 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 | 16759 | 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 | 157442 | 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 | 157442 | 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 | 10904 | 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 | 10904 | 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 | 69866 | 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 | 69866 | 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 | 56480 | 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 | 56480 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 89651 | 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 | 89651 | 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 | 169016 | 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 | 169016 | 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 | 75019 | 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 | 75019 | 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 | 75541 | 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 | 75541 | 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 | 75572 | 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 | 75572 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 75642 | 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 | 75642 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 66758 | 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 | 66758 | 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 | 89652 | 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 | 89652 | 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 | 89660 | 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 | 89660 | 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 | 12772 | 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 | 12772 | 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 | 12772 | 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 | 137474 | 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 | 137474 | 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 | 186467 | 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 | 186467 | 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 | 69865 | 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 | 69865 | 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 | 167240 | 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 | 167240 | 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 | 18918 | 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 | 18918 | 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 | 18918 | 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 | 18918 | 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 | 69723 | 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 | 69723 | 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 | 99221 | 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 | 99221 | 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 | 7385 | 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 | 7385 | 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 | 18918 | 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 | 18918 | 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 | 68330 | 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 | 68330 | 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 | 115915 | 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 | 115915 | 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 | 68177 | 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 | 68177 | 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 | 96319 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL261363 | 96319 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 3 | 0 | 5 | 3.2 | CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1 | 10.1021/jm7014217 | |||
11738520 | 139266 | 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 | 139266 | 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 | 139266 | 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 | 173866 | 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 | 173866 | 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 | 185722 | 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 | 185722 | 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 | 184383 | 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 | 184383 | 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 | 68316 | 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 | 68316 | 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 | 188866 | 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 | 188866 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 110135 | 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 | 110135 | 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 | 86498 | 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 | 86498 | 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 | 117119 | 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 | 117119 | 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 | 68166 | 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 | 68166 | 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 | 68179 | 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 | 68179 | 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 | 67080 | 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 | 67080 | 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 | 199485 | 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 | 199485 | 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 | 178272 | 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 | 178272 | 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 | 178272 | 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 | 189079 | 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 | 189079 | 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 | 189079 | 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 | 189079 | 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 | 86499 | 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 | 86499 | 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 | 155692 | 10 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 2 | 0 | 5 | 1.4 | COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | |||
CHEMBL405044 | 155692 | 10 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 2 | 0 | 5 | 1.4 | COc1nc2ccccc2nc1N1CCN(C)CC1 | 10.1021/jm7014217 | |||
25130576 | 187626 | 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 | 187626 | 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 | 187626 | 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 | 187626 | 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 | 123811 | 26 | 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 | 123811 | 26 | 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 | 193010 | 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 | 193010 | 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 | 193010 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 187587 | 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 | 202100 | 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 | 202100 | 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 | 202158 | 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 | 202158 | 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 | 68175 | 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 | 68175 | 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 | 186148 | 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 | 186148 | 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 | 68315 | 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 | 68315 | 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 | 187587 | 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 | 187587 | 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 | 68180 | 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 | 68180 | 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 | 140934 | 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 | 140934 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 89716 | 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 | 89716 | 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 | 189024 | 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 | 189024 | 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 | 189024 | 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 | 189024 | 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 | 140311 | 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 | 140311 | 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 | 199906 | 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 | 199906 | 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 | 199725 | 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 | 199725 | 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 | 123919 | 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 | 123919 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 140768 | 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 | 140768 | 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 | 110153 | 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 | 110153 | 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 | 61555 | 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 | 61555 | 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 | 110129 | 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 | 110129 | 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 | 110144 | 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 | 110144 | 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 | 176241 | 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 | 176241 | 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 | 176241 | 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 | 16753 | 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 | 16753 | 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 | 86464 | 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 | 86464 | 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 | 68169 | 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 | 68169 | 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 | 186850 | 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 | 186850 | 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 | 96123 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 3 | 0 | 5 | 3.5 | CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL260388 | 96123 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 3 | 0 | 5 | 3.5 | CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 | 10.1021/jm7014217 | |||
25178939 | 186850 | 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 | 186850 | 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 | 184903 | 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 | 184903 | 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 | 137359 | 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 | 137359 | 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 | 86488 | 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 | 86488 | 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 | 117141 | 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 | 117141 | 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 | 68182 | 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 | 68182 | 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 | 80346 | 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 | 80346 | 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 | 173427 | 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 | 173427 | 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 | 173427 | 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 | 173427 | 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 | 185198 | 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 | 185198 | 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 | 86500 | 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 | 86500 | 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 | 124022 | 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 | 124022 | 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 | 68186 | 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 | 68186 | 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 | 112177 | 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 | 112177 | 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 | 63124 | 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 | 63124 | 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 | 63124 | 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 | 123923 | 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 | 123923 | 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 | 19455 | 51 | 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 | 19455 | 51 | 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 | 19455 | 51 | 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 | 19455 | 51 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 173426 | 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 | 173426 | 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 | 173426 | 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 | 173426 | 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 | 141932 | 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 | 141932 | 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 | 71600 | 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 | 71600 | 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 | 71600 | 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 | 58909 | 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 | 58909 | 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 | 159310 | 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 | 159310 | 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 | 63124 | 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 | 63124 | 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 | 63124 | 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 | 117137 | 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 | 117137 | 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 | 60199 | 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 | 60199 | 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 | 60199 | 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 | 110123 | 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 | 110123 | 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 | 68137 | 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 | 68137 | 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 | 187181 | 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 | 187181 | 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 | 187181 | 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 | 187181 | 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 | 15495 | 24 | 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 | 15495 | 24 | 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 | 89645 | 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 | 89645 | 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 | 89662 | 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 | 89662 | 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 | 4060 | 6 | 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 | 4060 | 6 | 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 | 4060 | 6 | 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 | 74447 | 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 | 74447 | 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 | 139492 | 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 | 139492 | 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 | 75660 | 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 | 75660 | 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 | 75672 | 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 | 75672 | 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 | 75679 | 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 | 75679 | 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 | 75692 | 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 | 75692 | 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 | 96349 | 20 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm800876b | |||
CHEMBL261551 | 96349 | 20 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm800876b | |||
25129169 | 187181 | 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 | 187181 | 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 | 96349 | 20 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL261551 | 96349 | 20 | None | 18 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 0 | 4 | 3.0 | CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 | 10.1021/jm7014217 | |||
10429016 | 196160 | 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 | 196160 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 86465 | 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 | 86465 | 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 | 108577 | 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 | 108577 | 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 | 89659 | 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 | 89659 | 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 | 76022 | 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 | 76022 | 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 | 13008 | 28 | 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 | 13008 | 28 | 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 | 13008 | 28 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 75662 | 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 | 75662 | 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 | 75673 | 25 | 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 | 75673 | 25 | 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 | 75677 | 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 | 75677 | 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 | 75682 | 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 | 75682 | 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 | 75691 | 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 | 75691 | 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 | 2082 | 13 | 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 | 2082 | 13 | 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 | 2082 | 13 | 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 | 12802 | 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 | 12802 | 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 | 12802 | 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 | 75634 | 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 | 75634 | 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 | 156156 | 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 | 156156 | 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 | 167082 | 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 | 167082 | 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 | 159196 | 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 | 159196 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 145930 | 1 | 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 | 145930 | 1 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 69738 | 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 | 69738 | 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 | 199556 | 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 | 199556 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 61539 | 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 | 61539 | 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 | 117118 | 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 | 117118 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 199385 | 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 | 199385 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 187181 | 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 | 187181 | 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 | 199508 | 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 | 199508 | 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 | 187181 | 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 | 187181 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 68219 | 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 | 68219 | 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 | 69911 | 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 | 69911 | 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 | 69913 | 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 | 69913 | 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 | 188438 | 19 | 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 | 188438 | 19 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 188438 | 19 | 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 | 188438 | 19 | 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 | 8378 | 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 | 8378 | 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 | 68097 | 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 | 68097 | 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 | 192717 | 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 | 192717 | 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 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 199556 | 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 | 199556 | 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 | 61557 | 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 | 61557 | 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 | 68128 | 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 | 68128 | 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 | 132817 | 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 | 132817 | 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 | 156967 | 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 | 156967 | 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 | 86466 | 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 | 86466 | 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 | 192906 | 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 | 192906 | 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 | 192906 | 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 | 179282 | 3 | 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 | 179282 | 3 | 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 | 179282 | 3 | 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 | 179282 | 3 | 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 | 112173 | 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 | 112173 | 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 | 187626 | 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 | 187626 | 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 | 187626 | 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 | 187626 | 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 | 72012 | 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 | 72012 | 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 | 68174 | 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 | 68174 | 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 | 63147 | 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 | 63147 | 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 | 63147 | 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 | 200178 | 18 | 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 | 200178 | 18 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
46890590 | 7024 | 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 | 7024 | 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 | 68168 | 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 | 68168 | 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 | 71599 | 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 | 71599 | 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 | 71599 | 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 | 173409 | 9 | 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 | 173409 | 9 | 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 | 199679 | 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 | 199679 | 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 | 205174 | 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 | 205174 | 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 | 157981 | 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 | 157981 | 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 | 63147 | 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 | 63147 | 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 | 63147 | 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 | 123915 | 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 | 123915 | 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 | 112181 | 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 | 112181 | 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 | 5895 | 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 | 5895 | 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 | 5895 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 137281 | 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 | 137281 | 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 | 185377 | 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 | 185377 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 113386 | 1 | 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 | 113386 | 1 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 110155 | 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 | 110155 | 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 | 68113 | 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 | 68113 | 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 | 112180 | 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 | 112180 | 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 | 186886 | 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 | 186886 | 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 | 108577 | 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 | 108577 | 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 | 96058 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL259956 | 96058 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 | 10.1021/jm7014217 | |||
54586765 | 61542 | 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 | 61542 | 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 | 99221 | 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 | 99221 | 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 | 68115 | 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 | 68115 | 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 | 86491 | 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 | 86491 | 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 | 68171 | 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 | 68171 | 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 | 176483 | 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 | 176483 | 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 | 176483 | 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 | 58906 | 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 | 58906 | 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 | 58907 | 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 | 58907 | 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 | 192997 | 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 | 192997 | 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 | 192997 | 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 | 63166 | 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 | 63166 | 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 | 63166 | 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 | 184718 | 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 | 184718 | 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 | 63166 | 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 | 63166 | 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 | 63166 | 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 | 117131 | 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 | 117131 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 78460 | 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 | 78460 | 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 | 115910 | 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 | 115910 | 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 | 58897 | 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 | 58897 | 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 | 205613 | 2 | 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 | 205613 | 2 | 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 | 2348 | 53 | None | -134 | 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 | 2348 | 53 | None | -134 | 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 | 2348 | 53 | None | -134 | 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 | 2348 | 53 | None | -134 | 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 | 2348 | 53 | None | -134 | 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 | 184436 | 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 | 184436 | 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 | 86493 | 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 | 86493 | 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 | 18842 | 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 | 18842 | 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 | 18842 | 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 | 18842 | 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 | 199679 | 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 | 199679 | 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 | 83453 | 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 | 83453 | 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 | 68052 | 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 | 68052 | 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 | 18842 | 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 | 18842 | 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 | 115916 | 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 | 115916 | 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 | 96059 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 | 10.1021/jm7014217 | |||
CHEMBL259957 | 96059 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 335 | 4 | 0 | 6 | 2.4 | CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 | 10.1021/jm7014217 | |||
135589846 | 141820 | 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 | 141820 | 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 | 68122 | 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 | 68122 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 169016 | 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 | 169016 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 174554 | 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 | 174554 | 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 | 96135 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 5 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL260458 | 96135 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 348 | 5 | 0 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
11344458 | 205198 | 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 | 205198 | 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 | 60171 | 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 | 60171 | 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 | 60171 | 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 | 118146 | 34 | None | -20 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | 10.1021/jm051008s | |||
CHEMBL340801 | 118146 | 34 | None | -20 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | 10.1021/jm051008s | |||
46881855 | 7746 | 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 | 7746 | 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 | 86467 | 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 | 86467 | 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 | 123913 | 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 | 123913 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 176320 | 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 | 201219 | 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 | 201219 | 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 | 192926 | 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 | 192926 | 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 | 192926 | 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 | 185788 | 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 | 185788 | 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 | 69912 | 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 | 69912 | 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 | 117023 | 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 | 117023 | 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 | 19423 | 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 | 19423 | 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 | 19423 | 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 | 19423 | 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 | 69739 | 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 | 69739 | 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 | 188438 | 19 | 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 | 188438 | 19 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 117143 | 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 | 117143 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 8378 | 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 | 8378 | 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 | 110121 | 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 | 110121 | 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 | 19423 | 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 | 19423 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 75667 | 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 | 75667 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 106051 | 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 | 106051 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 193178 | 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 | 193178 | 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 | 176547 | 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 | 176547 | 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 | 176547 | 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 | 193178 | 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 | 193178 | 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 | 192718 | 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 | 192718 | 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 | 16052 | 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 | 16052 | 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 | 68142 | 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 | 68142 | 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 | 89729 | 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 | 89729 | 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 | 6910 | 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 | 6910 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 199600 | 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 | 199600 | 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 | 187481 | 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 | 187481 | 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 | 16053 | 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 | 16053 | 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 | 110130 | 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 | 110130 | 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 | 186855 | 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 | 186855 | 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 | 187317 | 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 | 187317 | 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 | 96154 | 10 | 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 | 96154 | 10 | 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 | 96154 | 10 | 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 | 96154 | 10 | 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 | 68055 | 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 | 68055 | 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 | 191386 | 10 | 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 | 191386 | 10 | 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 | 199563 | 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 | 199563 | 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 | 61534 | 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 | 61534 | 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 | 115920 | 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 | 115920 | 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 | 68104 | 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 | 68104 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 56480 | 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 | 56480 | 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 | 56481 | 3 | 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 | 56481 | 3 | 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 | 89725 | 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 | 89725 | 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 | 3804 | 49 | None | -14 | 26 | 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 | 3804 | 49 | None | -14 | 26 | 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 | 3804 | 49 | None | -14 | 26 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 3195 | 19 | 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 | 3195 | 19 | 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 | 3195 | 19 | 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 | 204485 | 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 | 204485 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 89667 | 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 | 89667 | 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 | 89672 | 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 | 89672 | 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 | 74442 | 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 | 74442 | 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 | 76048 | 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 | 76048 | 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 | 138707 | 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 | 138707 | 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 | 18842 | 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 | 18842 | 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 | 199203 | 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 | 199203 | 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 | 195217 | 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 | 195217 | 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 | 195217 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 7160 | 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 | 7160 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1267 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 89616 | 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 | 89616 | 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 | 4061 | 11 | 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 | 4061 | 11 | 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 | 4061 | 11 | 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 | 75531 | 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 | 75531 | 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 | 76311 | 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 | 76311 | 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 | 75681 | 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 | 75681 | 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 | 958 | 93 | None | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | |||
38 | 958 | 93 | None | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | |||
722 | 958 | 93 | None | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD20212C | |||
44395314 | 123686 | 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 | 123686 | 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 | 404 | 33 | 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 | 404 | 33 | 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 | 404 | 33 | 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 | 75643 | 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 | 75643 | 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 | 75674 | 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 | 75674 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 18945 | 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 | 18945 | 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 | 68216 | 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 | 68216 | 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 | 68216 | 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 | 68216 | 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 | 112187 | 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 | 112187 | 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 | 69906 | 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 | 69906 | 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 | 16051 | 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 | 16051 | 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 | 61538 | 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 | 61538 | 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 | 117111 | 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 | 117111 | 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 | 205687 | 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 | 205687 | 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 | 112175 | 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 | 112175 | 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 | 69868 | 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 | 69868 | 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 | 187354 | 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 | 187354 | 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 | 112178 | 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 | 112178 | 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 | 110138 | 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 | 110138 | 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 | 124019 | 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 | 124019 | 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 | 112178 | 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 | 112178 | 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 | 15507 | 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 | 15507 | 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 | 167111 | 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 | 167111 | 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 | 68046 | 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 | 68046 | 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 | 89727 | 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 | 89727 | 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 | 179350 | 12 | 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 | 179350 | 12 | 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 | 200083 | 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 | 200083 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 58899 | 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 | 58899 | 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 | 86496 | 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 | 86496 | 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 | 202073 | 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 | 202073 | 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 | 184984 | 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 | 184984 | 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 | 69735 | 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 | 69735 | 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 | 117127 | 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 | 117127 | 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 | 117136 | 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 | 117136 | 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 | 6909 | 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 | 6909 | 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 | 109798 | 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 | 109798 | 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 | 87008 | 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 | 87008 | 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 | 157210 | 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 | 157210 | 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 | 186809 | 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 | 186809 | 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 | 186809 | 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 | 186809 | 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 | 189085 | 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 | 189085 | 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 | 96297 | 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 | 96297 | 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 | 5776 | 6 | 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 | 5776 | 6 | 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 | 186886 | 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 | 186886 | 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 | 96296 | 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 | 96296 | 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 | 155952 | 11 | 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 | 155952 | 11 | 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 | 61541 | 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 | 61541 | 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 | 68323 | 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 | 68323 | 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 | 178341 | 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 | 178341 | 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 | 178341 | 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 | 186783 | 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 | 186783 | 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 | 58901 | 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 | 58901 | 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 | 60200 | 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 | 60200 | 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 | 60200 | 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 | 96160 | 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 | 96160 | 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 | 186783 | 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 | 186783 | 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 | 136732 | 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 | 136732 | 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 | 199085 | 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 | 199085 | 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 | 192851 | 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 | 192851 | 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 | 192851 | 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 | 193045 | 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 | 193045 | 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 | 193045 | 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 | 67876 | 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 | 67876 | 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 | 185132 | 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 | 185132 | 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 | 68321 | 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 | 68321 | 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 | 86486 | 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 | 86486 | 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 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1247 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1375 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
774 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
CHEMBL90 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
DB05381 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 69719 | 26 | 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 | 69719 | 26 | 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 | 69737 | 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 | 69737 | 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 | 80266 | 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 | 80266 | 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 | 96154 | 10 | 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 | 96154 | 10 | 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 | 61519 | 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 | 61519 | 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 | 61550 | 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 | 61550 | 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 | 188739 | 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 | 188739 | 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 | 61550 | 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 | 61550 | 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 | 115917 | 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 | 115917 | 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 | 117121 | 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 | 117121 | 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 | 117139 | 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 | 117139 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 89657 | 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 | 89657 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 19423 | 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 | 19423 | 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 | 75664 | 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 | 75664 | 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 | 75665 | 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 | 75665 | 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 | 75666 | 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 | 75666 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 89728 | 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 | 89728 | 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 | 69915 | 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 | 69915 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 173411 | 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 | 173411 | 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 | 173411 | 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 | 173411 | 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 | 112185 | 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 | 112185 | 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 | 68327 | 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 | 68327 | 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 | 174355 | 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 | 174355 | 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 | 174355 | 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 | 174355 | 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 | 192924 | 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 | 192924 | 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 | 192924 | 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 | 7258 | 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 | 7258 | 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 | 18875 | 5 | 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 | 18875 | 5 | 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 | 18875 | 5 | 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 | 18875 | 5 | 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 | 18875 | 5 | 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 | 18875 | 5 | 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 | 161795 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1021/jm7014217 | |||
CHEMBL414183 | 161795 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 244 | 1 | 1 | 5 | 1.1 | CN1CCN(c2nc3ccccc3nc2O)CC1 | 10.1021/jm7014217 | |||
1265 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 68185 | 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 | 68185 | 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 | 176563 | 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 | 176563 | 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 | 176563 | 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 | 186782 | 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 | 186782 | 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 | 186782 | 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 | 186782 | 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 | 157906 | 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 | 157906 | 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 | 110140 | 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 | 110140 | 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 | 117129 | 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 | 117129 | 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 | 1932 | 119 | None | -12 | 24 | 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 | 1932 | 119 | None | -12 | 24 | 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 | 1932 | 119 | None | -12 | 24 | 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 | 1932 | 119 | None | -12 | 24 | 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 | 1932 | 119 | None | -12 | 24 | 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 | 1932 | 119 | None | -12 | 24 | 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 | 66828 | 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 | 66828 | 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 | 176478 | 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 | 176478 | 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 | 176478 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 103786 | 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 | 103786 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.0c00160 | |||
1278 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 169016 | 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 | 169016 | 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 | 74420 | 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 | 74420 | 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 | 74998 | 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 | 74998 | 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 | 76577 | 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 | 76577 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 161795 | 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 | 161795 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 187414 | 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 | 187414 | 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 | 75684 | 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 | 75684 | 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 | 75685 | 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 | 75685 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 96342 | 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 | 96342 | 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 | 195194 | 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 | 195194 | 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 | 195194 | 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 | 195250 | 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 | 195250 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 2017 | 21 | 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 | 2017 | 21 | 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 | 2017 | 21 | 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 | 89664 | 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 | 89664 | 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 | 76006 | 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 | 76006 | 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 | 61885 | 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 | 61885 | 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 | 96160 | 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 | 96160 | 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 | 65128 | 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 | 65128 | 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 | 75661 | 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 | 75661 | 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 | 186759 | 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 | 186759 | 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 | 136573 | 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 | 136573 | 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 | 5358 | 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 | 5358 | 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 | 192803 | 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 | 192803 | 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 | 192803 | 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 | 75635 | 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 | 75635 | 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 | 186408 | 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 | 186408 | 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 | 5961 | 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 | 5961 | 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 | 5961 | 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 | 61554 | 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 | 61554 | 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 | 112183 | 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 | 112183 | 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 | 136734 | 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 | 136734 | 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 | 79996 | 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 | 79996 | 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 | 139529 | 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 | 139529 | 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 | 5358 | 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 | 5358 | 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 | 185575 | 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 | 185575 | 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 | 69729 | 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 | 69729 | 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 | 84264 | 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 | 84264 | 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 | 84264 | 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 | 84264 | 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 | 68145 | 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 | 68145 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 199907 | 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 | 199907 | 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 | 58888 | 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 | 58888 | 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 | 157365 | 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 | 157365 | 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 | 69727 | 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 | 69727 | 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 | 67880 | 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 | 67880 | 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 | 137492 | 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 | 137492 | 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 | 91867 | 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 | 91867 | 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 | 184590 | 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 | 184590 | 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 | 86492 | 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 | 86492 | 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 | 61520 | 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 | 61520 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 117124 | 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 | 117124 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 176667 | 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 | 6588 | 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 | 6588 | 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 | 186759 | 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 | 186759 | 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 | 205244 | 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 | 205244 | 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 | 29077 | 13 | 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 | 29077 | 13 | 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 | 136638 | 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 | 136638 | 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 | 192762 | 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 | 192762 | 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 | 192762 | 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 | 192785 | 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 | 192785 | 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 | 192785 | 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 | 100237 | 32 | None | -16 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | 10.1021/jm7014217 | |||
CHEMBL288591 | 100237 | 32 | None | -16 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | 10.1021/jm7014217 | |||
10243990 | 5894 | 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 | 5894 | 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 | 5894 | 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 | 19434 | 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 | 19434 | 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 | 19434 | 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 | 19434 | 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 | 117115 | 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 | 117115 | 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 | 14690 | 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 | 14690 | 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 | 19434 | 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 | 19434 | 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 | 5599 | 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 | 5599 | 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 | 89719 | 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 | 89719 | 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 | 173409 | 9 | 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 | 173409 | 9 | 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 | 173409 | 9 | 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 | 173409 | 9 | 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 | 199454 | 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 | 199454 | 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 | 189062 | 14 | 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 | 189062 | 14 | 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 | 80260 | 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 | 80260 | 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 | 68108 | 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 | 68108 | 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 | 68125 | 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 | 68125 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 188180 | 9 | 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 | 56482 | 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 | 56482 | 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 | 56483 | 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 | 56483 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 56478 | 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 | 56478 | 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 | 102911 | 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 | 102911 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 176495 | 4 | 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 | 89674 | 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 | 89674 | 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 | 187287 | 45 | 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 | 187287 | 45 | 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 | 58900 | 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 | 58900 | 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 | 106052 | 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 | 106052 | 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 | 69914 | 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 | 69914 | 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 | 89725 | 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 | 89725 | 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 | 186784 | 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 | 186784 | 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 | 189062 | 14 | 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 | 189062 | 14 | 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 | 202029 | 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 | 202029 | 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 | 18910 | 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 | 18910 | 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 | 124021 | 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 | 124021 | 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 | 63163 | 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 | 63163 | 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 | 63163 | 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 | 166887 | 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 | 166887 | 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 | |||
CHEMBL4748908 | 214035 | 1 | None | -8 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
156013005 | 177499 | 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 | 177499 | 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 | 192779 | 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 | 192779 | 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 | 192779 | 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 | 63163 | 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 | 63163 | 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 | 63163 | 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 | 189062 | 14 | 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 | 189062 | 14 | 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 | 199798 | 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 | 199798 | 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 | |||
CHEMBL4748908 | 214035 | 1 | None | -8 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
46228083 | 199741 | 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 | 199741 | 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 | 6585 | 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 | 6585 | 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 | 137494 | 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 | 137494 | 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 | 175329 | 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 | 175329 | 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 | 86462 | 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 | 86462 | 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 | 69869 | 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 | 69869 | 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 | 68102 | 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 | 68102 | 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 | 193006 | 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 | 193006 | 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 | 193006 | 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 | 193020 | 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 | 193020 | 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 | 193020 | 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 | 96121 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
CHEMBL260371 | 96121 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 4 | 1 | 5 | 3.0 | CN1CCN(c2nc3ccccc3nc2NCc2ccccc2)CC1 | 10.1021/jm7014217 | |||
71528209 | 86972 | 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 | 86972 | 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 | 159126 | 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 | 159126 | 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 | 68051 | 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 | 68051 | 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 | 71628 | 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 | 71628 | 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 | 71628 | 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 | 159126 | 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 | 159126 | 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 | 186939 | 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 | 186939 | 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 | 186939 | 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 | 186939 | 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 | 192895 | 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 | 192895 | 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 | 192895 | 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 | 169679 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm800876b | |||
CHEMBL443764 | 169679 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm800876b | |||
24759622 | 169679 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm7014217 | |||
24759622 | 169679 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm901379s | |||
CHEMBL443764 | 169679 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm7014217 | |||
CHEMBL443764 | 169679 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2ncc3ccccc3n2)CC1 | 10.1021/jm901379s | |||
164622259 | 185730 | 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 | 185730 | 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 | 68146 | 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 | 68146 | 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 | 61532 | 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 | 61532 | 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 | 7312 | 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 | 7312 | 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 | 110139 | 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 | 110139 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 58892 | 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 | 58892 | 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 | 184425 | 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 | 184425 | 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 | 193014 | 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 | 193014 | 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 | 193014 | 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 | 193035 | 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 | 193035 | 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 | 193035 | 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 | 137460 | 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 | 137460 | 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 | 95484 | 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 | 95484 | 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 | 5930 | 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 | 5930 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 189062 | 14 | 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 | 189062 | 14 | 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 | 191386 | 10 | 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 | 191386 | 10 | 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 | 1932 | 119 | None | -15 | 24 | 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 | 1932 | 119 | None | -15 | 24 | 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 | 1932 | 119 | None | -15 | 24 | 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 | 1932 | 119 | None | -15 | 24 | 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 | 1932 | 119 | None | -15 | 24 | 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 | 1932 | 119 | None | -15 | 24 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 175101 | 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 | 175101 | 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 | 89649 | 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 | 89649 | 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 | 89655 | 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 | 89655 | 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 | 89666 | 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 | 89666 | 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 | 89668 | 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 | 89668 | 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 | 76017 | 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 | 76017 | 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 | 75644 | 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 | 75644 | 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 | 75649 | 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 | 75649 | 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 | 75663 | 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 | 75663 | 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 | 75693 | 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 | 75693 | 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 | 58908 | 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 | 58908 | 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 | 186784 | 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 | 186784 | 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 | 78680 | 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 | 78680 | 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 | 19379 | 56 | 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 | 19379 | 56 | 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 | 112186 | 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 | 112186 | 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 | 182947 | 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 | 182947 | 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 | 5301 | 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 | 5301 | 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 | 17987 | 34 | 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 | 17987 | 34 | 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 | 89654 | 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 | 89654 | 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 | 74954 | 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 | 74954 | 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 | 76519 | 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 | 76519 | 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 | 138503 | 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 | 138503 | 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 | 65124 | 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 | 65124 | 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 | 75641 | 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 | 75641 | 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 | 75658 | 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 | 75658 | 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 | 126645 | 6 | 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 | 126645 | 6 | 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 | 7394 | 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 | 7394 | 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 | 505 | 81 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | |||
249 | 505 | 81 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | |||
2603 | 505 | 81 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | |||
CHEMBL296419 | 505 | 81 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | |||
DB00637 | 505 | 81 | None | -117 | 42 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1016/j.bmcl.2011.09.001 | |||
44417471 | 12771 | 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 | 12771 | 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 | 12771 | 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 | 185274 | 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 | 185274 | 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 | 18940 | 6 | 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 | 18940 | 6 | 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 | 19442 | 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 | 19442 | 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 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
9923162 | 18940 | 6 | 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 | 18940 | 6 | 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 | 19442 | 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 | 19442 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 61391 | 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 | 61391 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 115917 | 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 | 115917 | 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 | 117134 | 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 | 117134 | 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 | 117142 | 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 | 117142 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 110149 | 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 | 110149 | 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 | 68135 | 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 | 68135 | 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 | 18940 | 6 | 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 | 18940 | 6 | 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 | 19442 | 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 | 19442 | 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 | 199453 | 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 | 199453 | 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 | 187643 | 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 | 187643 | 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 | 58889 | 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 | 58889 | 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 | 176508 | 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 | 176508 | 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 | 176508 | 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 | 193048 | 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 | 193048 | 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 | 193048 | 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 | 6515 | 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 | 6515 | 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 | 200150 | 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 | 200150 | 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 | 176056 | 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 | 176056 | 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 | 184943 | 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 | 184943 | 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 | 185580 | 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 | 185580 | 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 | 186429 | 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 | 186429 | 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 | 7394 | 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 | 7394 | 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 | 86489 | 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 | 86489 | 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 | 68217 | 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 | 68217 | 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 | 68217 | 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 | 68217 | 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 | 117138 | 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 | 117138 | 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 | 167111 | 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 | 167111 | 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 | 68210 | 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 | 68210 | 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 | 61556 | 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 | 61556 | 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 | 68210 | 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 | 68210 | 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 | 69908 | 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 | 69908 | 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 | 112191 | 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 | 112191 | 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 | 68176 | 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 | 68176 | 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 | 6584 | 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 | 6584 | 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 | 16744 | 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 | 16744 | 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 | 10383 | 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 | 10383 | 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 | 89726 | 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 | 89726 | 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 | 189745 | 1 | 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 | 189745 | 1 | 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 | 189745 | 1 | 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 | 189745 | 1 | 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 | 185568 | 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 | 185568 | 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 | 61544 | 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 | 61544 | 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 | 123914 | 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 | 123914 | 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 | 117132 | 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 | 117132 | 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 | 68328 | 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 | 68328 | 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 | 140247 | 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 | 140247 | 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 | 186321 | 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 | 186321 | 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 | 86468 | 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 | 86468 | 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 | 68178 | 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 | 68178 | 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 | 68172 | 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 | 68172 | 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 | 68181 | 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 | 68181 | 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 | 7291 | 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 | 7291 | 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 | 71601 | 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 | 71601 | 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 | 71601 | 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 | 71603 | 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 | 71603 | 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 | 71603 | 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 | 173446 | 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 | 173446 | 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 | 58895 | 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 | 58895 | 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 | 174238 | 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 | 174238 | 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 | 16421 | 4 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1021/jm7014217 | |||
CHEMBL123137 | 16421 | 4 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2cnc3ccccc3n2)CC1 | 10.1021/jm7014217 | |||
25179123 | 189100 | 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 | 189100 | 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 | 5301 | 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 | 5301 | 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 | 192801 | 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 | 192801 | 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 | 192801 | 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 | 67879 | 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 | 67879 | 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 | 10382 | 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 | 10382 | 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 | 86463 | 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 | 86463 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 1932 | 119 | None | -3 | 24 | 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 | 61540 | 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 | 61540 | 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 | 68183 | 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 | 68183 | 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 | 83460 | 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 | 83460 | 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 | 68183 | 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 | 68183 | 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 | 68056 | 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 | 68056 | 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 | 89726 | 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 | 89726 | 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 | 187354 | 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 | 187354 | 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 | 89724 | 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 | 89724 | 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 | 199430 | 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 | 199430 | 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 | 110150 | 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 | 110150 | 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 | 68183 | 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 | 68183 | 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 | 68212 | 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 | 68212 | 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 | 69733 | 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 | 69733 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 72938 | 7 | 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 | 72938 | 7 | 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 | 123838 | 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 | 123838 | 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 | 80313 | 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 | 80313 | 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 | 123916 | 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 | 123916 | 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 | 68221 | 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 | 68221 | 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 | 69721 | 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 | 69721 | 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 | 204049 | 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 | 204049 | 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 | 204049 | 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 | 58884 | 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 | 58884 | 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 | 137488 | 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 | 137488 | 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 | 115911 | 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 | 115911 | 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 | 84230 | 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 | 84230 | 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 | 68329 | 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 | 68329 | 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 | 178309 | 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 | 178309 | 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 | 178309 | 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 | 110312 | 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 | 110312 | 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 | 68318 | 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 | 68318 | 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 | 69726 | 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 | 69726 | 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 | 137266 | 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 | 137266 | 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 | 186785 | 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 | 186785 | 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 | 189100 | 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 | 189100 | 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 | 186785 | 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 | 186785 | 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 | 186156 | 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 | 186156 | 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 | 117113 | 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 | 117113 | 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 | 117110 | 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 | 117110 | 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 | 7243 | 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 | 7243 | 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 | 69907 | 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 | 69907 | 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 | 156118 | 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 | 156118 | 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 | 137295 | 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 | 137295 | 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 | 140200 | 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 | 140200 | 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 | 187254 | 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 | 187254 | 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 | 86485 | 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 | 86485 | 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 | 140238 | 3 | 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 | 140238 | 3 | 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 | 2182 | 50 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
3827 | 2182 | 50 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
7206 | 2182 | 50 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
CHEMBL534 | 2182 | 50 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
DB00920 | 2182 | 50 | None | -21379 | 21 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
124087 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1389 | 114 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 1909 | 20 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1247 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1375 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
774 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
CHEMBL90 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
DB05381 | 1932 | 119 | None | -12 | 24 | Rat | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1236 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKd | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1241 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10973974 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179435 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 7.9 | pKd | None | 7.9 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
None | 216141 | 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 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
None | 216141 | 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 | 400 | 115 | 3H-Histamine | -4365 | 49 | 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 | 400 | 115 | 3H-Histamine | -4365 | 49 | 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 | 400 | 115 | 3H-Histamine | -4365 | 49 | 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 | 400 | 115 | 3H-Histamine | -4365 | 49 | 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 | 400 | 115 | 3H-Histamine | -4365 | 49 | 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 | 470 | 124 | 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 | 470 | 124 | 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 | 470 | 124 | 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 | 470 | 124 | 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 | 470 | 124 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 937 | 116 | 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 | 1301 | 62 | 3H-Histamine | -301 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
2913 | 1301 | 62 | 3H-Histamine | -301 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
765 | 1301 | 62 | 3H-Histamine | -301 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
CHEMBL516 | 1301 | 62 | 3H-Histamine | -301 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
DB00434 | 1301 | 62 | 3H-Histamine | -301 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
1248 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1662 | 50 | 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 | 1662 | 50 | 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 | 1662 | 50 | 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 | 1662 | 50 | 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 | 1662 | 50 | 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 | 1911 | 93 | 3H-Histamine | -6918 | 83 | 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 | 1911 | 93 | 3H-Histamine | -6918 | 83 | 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 | 1911 | 93 | 3H-Histamine | -6918 | 83 | 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 | 1911 | 93 | 3H-Histamine | -6918 | 83 | 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 | 1911 | 93 | 3H-Histamine | -6918 | 83 | 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 | 2914 | 112 | 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 | 2914 | 112 | 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 | 2914 | 112 | 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 | 2914 | 112 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3159 | 96 | 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 | 3256 | 77 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
50 | 3256 | 77 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
5002 | 3256 | 77 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
CHEMBL716 | 3256 | 77 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
DB01224 | 3256 | 77 | 3H-Histamine | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
1234 | 3291 | 68 | 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 | 3291 | 68 | 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 | 3291 | 68 | 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 | 3291 | 68 | 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 | 3331 | 118 | 3H-Histamine | -26915 | 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 | 3331 | 118 | 3H-Histamine | -26915 | 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 | 3331 | 118 | 3H-Histamine | -26915 | 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 | 3331 | 118 | 3H-Histamine | -26915 | 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 | 3331 | 118 | 3H-Histamine | -26915 | 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 | 3691 | 61 | 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 | 3691 | 61 | 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 | 3691 | 61 | 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 | 3853 | 55 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
2717 | 3853 | 55 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
5533 | 3853 | 55 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
CHEMBL621 | 3853 | 55 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
DB00656 | 3853 | 55 | 3H-Histamine | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
185 | 4006 | 60 | 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 | 4006 | 60 | 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 | 4006 | 60 | 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 | 4006 | 60 | 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 | 4143 | 73 | 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 | 4143 | 73 | 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 | 4143 | 73 | 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 | 4143 | 73 | 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 | 4143 | 73 | 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 | 27112 | 30 | 3H-Histamine | -38 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
CHEMBL136560 | 27112 | 30 | 3H-Histamine | -38 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
156391 | 46800 | 99 | 3H-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
CHEMBL1200806 | 46800 | 99 | 3H-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
CHEMBL154 | 46800 | 99 | 3H-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
10624 | 70300 | 19 | 3H-Histamine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
138543650 | 70300 | 19 | 3H-Histamine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
CHEMBL194378 | 70300 | 19 | 3H-Histamine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
21830793 | 91835 | 10 | 3H-8-OH-DPAT | -66069 | 45 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
CHEMBL2413154 | 91835 | 10 | 3H-8-OH-DPAT | -66069 | 45 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
46780481 | 107531 | 20 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
9903970 | 107531 | 20 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3187365 | 107531 | 20 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3544974 | 107531 | 20 | 3H-Histamine | -58884 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
446220 | 133521 | 14 | 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 | 133521 | 14 | 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 | 196535 | 92 | 3H-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
CHEMBL56367 | 196535 | 92 | 3H-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
54677470 | 200551 | 115 | 3H-Histamine | -1 | 29 | 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 | 200551 | 115 | 3H-Histamine | -1 | 29 | 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 | 200551 | 115 | 3H-Histamine | -1 | 29 | 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 | 202274 | 22 | 3H-Histamine | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
4786 | 202274 | 22 | 3H-Histamine | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
CHEMBL61006 | 202274 | 22 | 3H-Histamine | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
4054 | 205501 | 72 | 3H-Histamine | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
CHEMBL1699 | 205501 | 72 | 3H-Histamine | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
CHEMBL807 | 205501 | 72 | 3H-Histamine | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
11954259 | 215979 | 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 | 215993 | 0 | 3H-Histamine | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | |||
104911 | 216019 | 0 | 3H-Histamine | -41686 | 37 | 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 | 216141 | 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 | 216179 | 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 | 216179 | 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 | 216311 | 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 | 216312 | 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 | 216313 | 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 | 216314 | 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 | 216315 | 0 | 3H-Histamine | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | |||
None | 216316 | 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 | 216317 | 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 | 216325 | 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 | 216326 | 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 | 216389 | 0 | 3H-Histamine | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | |||
23681059 | 216390 | 0 | 3H-Histamine | -1 | 28 | 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 | 216393 | 0 | 3H-Histamine | -1412 | 26 | 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 | 216394 | 0 | 3H-Histamine | -1 | 29 | 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 | 216395 | 0 | 3H-Histamine | -7 | 28 | 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 | 216489 | 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 | 2035 | 69 | 3H-Histamine | -363 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
333 | 2035 | 69 | 3H-Histamine | -363 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
CHEMBL845 | 2035 | 69 | 3H-Histamine | -363 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
1204 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | 1 | 24 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1225 | 1471 | 26 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
3958 | 1471 | 26 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
667477 | 1471 | 26 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
CHEMBL860 | 1471 | 26 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
DB01142 | 1471 | 26 | 3H-PYRILAMINE | -371 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
1226 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2058 | 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 | 2058 | 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 | 2058 | 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 | 216254 | 0 | 3H-Histamine | -13 | 19 | 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 | 216254 | 0 | 3H-N-alpha-methylhistamine | -13 | 19 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-N-alpha-methylhistamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-N-alpha-methylhistamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-N-alpha-methylhistamine | -33 | 26 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 216156 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1204 | 1932 | 119 | 3H-N-alpha-methylhistamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-N-alpha-methylhistamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-N-alpha-methylhistamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-N-alpha-methylhistamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-N-alpha-methylhistamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-N-alpha-methylhistamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
2286 | 3183 | 51 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
4927 | 3183 | 51 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
7282 | 3183 | 51 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
CHEMBL643 | 3183 | 51 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
DB01069 | 3183 | 51 | 3H-PYRILAMINE | -10 | 30 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
1204 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
3032915 | 15495 | 24 | 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 | 15495 | 24 | 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 | 1932 | 119 | 3H-JNJ 7777120 | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-JNJ 7777120 | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-JNJ 7777120 | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-JNJ 7777120 | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-JNJ 7777120 | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-JNJ 7777120 | -3 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1251 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 216254 | 0 | 125I-iodophenpropit | -13 | 19 | 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 | 216254 | 0 | 3H-JNJ 7777120 | -13 | 19 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
1204 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
11957573 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 1301 | 62 | 3H-PYRILAMINE | -301 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
2913 | 1301 | 62 | 3H-PYRILAMINE | -301 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
765 | 1301 | 62 | 3H-PYRILAMINE | -301 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
CHEMBL516 | 1301 | 62 | 3H-PYRILAMINE | -301 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
DB00434 | 1301 | 62 | 3H-PYRILAMINE | -301 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
1241 | 2037 | 52 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | |||
1242 | 2037 | 52 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | |||
3614 | 2037 | 52 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | |||
CHEMBL507 | 2037 | 52 | 3H-Histamine | -89 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 125 | 2 | 1 | 3 | -0.1 | Cn1cc(nc1)CCN | None | |||
None | 216141 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 1932 | 119 | 125I-iodophenpropit | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 125I-iodophenpropit | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 125I-iodophenpropit | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 125I-iodophenpropit | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 125I-iodophenpropit | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 125I-iodophenpropit | -3 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1226 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 216156 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
1213 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
2725 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
33036 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
4411 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
616 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
6976 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
716121 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
CHEMBL1201353 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
CHEMBL1554789 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
CHEMBL505 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
DB01114 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
DB13679 | 918 | 51 | 3H-PYRILAMINE | -295 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
135398737 | 958 | 93 | 125I-iodophenpropit | -57 | 89 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | 125I-iodophenpropit | -57 | 89 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | 125I-iodophenpropit | -57 | 89 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | 125I-iodophenpropit | -57 | 89 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | 125I-iodophenpropit | -57 | 89 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
1239 | 2033 | 24 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 2033 | 24 | 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 | 401 | 56 | 3H-PYRILAMINE | -32 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
200 | 401 | 56 | 3H-PYRILAMINE | -32 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
2160 | 401 | 56 | 3H-PYRILAMINE | -32 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
CHEMBL629 | 401 | 56 | 3H-PYRILAMINE | -32 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
DB00321 | 401 | 56 | 3H-PYRILAMINE | -32 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
1204 | 1932 | 119 | 3H-PYRILAMINE | -3 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-PYRILAMINE | -3 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-PYRILAMINE | -3 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-PYRILAMINE | -3 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-PYRILAMINE | -3 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-PYRILAMINE | -3 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
None | 216141 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 19455 | 51 | 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 | 19455 | 51 | 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 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1267 | 3804 | 49 | 125I-iodophenpropit | -33 | 26 | 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 | 3804 | 49 | 125I-iodophenpropit | -33 | 26 | 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 | 3804 | 49 | 125I-iodophenpropit | -33 | 26 | 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 | 15495 | 24 | 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 | 15495 | 24 | 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 | 15495 | 24 | 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 | 15495 | 24 | 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 | 958 | 93 | 3H-JNJ 7777120 | -57 | 89 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | 3H-JNJ 7777120 | -57 | 89 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | 3H-JNJ 7777120 | -57 | 89 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | 3H-JNJ 7777120 | -57 | 89 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | 3H-JNJ 7777120 | -57 | 89 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
45073439 | 216157 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 1432 | 83 | 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 | 32000 | 67 | 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 | 32000 | 67 | 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 | 32000 | 67 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 13441 | 42 | 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 | 13441 | 42 | 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 | 13441 | 42 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 3804 | 49 | 3H-Histamine | -33 | 26 | 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 | 55585 | 119 | None | -891 | 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 | 55585 | 119 | None | -891 | 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 | 505 | 81 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
249 | 505 | 81 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
2603 | 505 | 81 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
CHEMBL296419 | 505 | 81 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
DB00637 | 505 | 81 | None | -117 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
5625 | 199668 | 72 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 456 | 6 | 3 | 6 | 2.7 | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 | None | |||
CHEMBL593 | 199668 | 72 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 456 | 6 | 3 | 6 | 2.7 | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 | None | |||
1613 | 2348 | 53 | None | -134 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
205 | 2348 | 53 | None | -134 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
3964 | 2348 | 53 | None | -134 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
CHEMBL831 | 2348 | 53 | None | -134 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
DB00408 | 2348 | 53 | None | -134 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
16106 | 118146 | 34 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | None | |||
CHEMBL340801 | 118146 | 34 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 0 | 0 | 3 | 2.9 | CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 | None | |||
4761 | 13441 | 42 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | |||
CHEMBL1193 | 13441 | 42 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | |||
CHEMBL1580221 | 13441 | 42 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 240 | 5 | 0 | 2 | 3.2 | CN(C)CCC(c1ccccc1)c1ccccn1 | None | |||
135398737 | 958 | 93 | None | -54 | 89 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | None | -54 | 89 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | None | -54 | 89 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | None | -54 | 89 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | None | -54 | 89 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
100 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3805 | 58 | 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 | 3125 | 71 | None | -562 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
2172 | 3125 | 71 | None | -562 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
90 | 3125 | 71 | None | -562 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
CHEMBL1423 | 3125 | 71 | None | -562 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
DB01100 | 3125 | 71 | None | -562 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
135398737 | 958 | 93 | None | -44 | 89 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | None | -44 | 89 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | None | -44 | 89 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | None | -44 | 89 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | None | -44 | 89 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
103 | 4153 | 61 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 4153 | 61 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 2348 | 53 | 3H-Histamine | -134 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
205 | 2348 | 53 | 3H-Histamine | -134 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
3964 | 2348 | 53 | 3H-Histamine | -134 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
CHEMBL831 | 2348 | 53 | 3H-Histamine | -134 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
DB00408 | 2348 | 53 | 3H-Histamine | -134 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
135398737 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
11957573 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 32000 | 67 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | |||
CHEMBL1407943 | 32000 | 67 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | |||
CHEMBL3216363 | 32000 | 67 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | None | |||
1210 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
1213 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
2725 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
33036 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
4411 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
616 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
6976 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
716121 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
CHEMBL1201353 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
CHEMBL1554789 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
CHEMBL505 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
DB01114 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
DB13679 | 918 | 51 | None | -295 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
2286 | 3183 | 51 | None | -10 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
4927 | 3183 | 51 | None | -10 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
7282 | 3183 | 51 | None | -10 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
CHEMBL643 | 3183 | 51 | None | -10 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
DB01069 | 3183 | 51 | None | -10 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
2726 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 919 | 68 | 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 | 1932 | 119 | None | -15 | 24 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1204 | 1932 | 119 | None | -12 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | None | -12 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | None | -12 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | None | -12 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | None | -12 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | None | -12 | 24 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1223 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 2532 | 43 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
1796 | 2532 | 43 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
4184 | 2532 | 43 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
CHEMBL6437 | 2532 | 43 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
DB06148 | 2532 | 43 | 3H-PYRILAMINE | -389 | 58 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
1267 | 3804 | 49 | 3H-JNJ 7777120 | -33 | 26 | 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 | 3804 | 49 | 3H-JNJ-5207852 | -33 | 26 | 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 | 3804 | 49 | 3H-JNJ 7777120 | -33 | 26 | 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 | 3804 | 49 | 3H-JNJ-5207852 | -33 | 26 | 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 | 3804 | 49 | 3H-JNJ 7777120 | -33 | 26 | 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 | 3804 | 49 | 3H-JNJ-5207852 | -33 | 26 | 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 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1204 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | 3H-Histamine | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
180 | 401 | 56 | None | -32 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
200 | 401 | 56 | None | -32 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
2160 | 401 | 56 | None | -32 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
CHEMBL629 | 401 | 56 | None | -32 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
DB00321 | 401 | 56 | None | -32 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
277 | 1301 | 62 | None | -301 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
2913 | 1301 | 62 | None | -301 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
765 | 1301 | 62 | None | -301 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
CHEMBL516 | 1301 | 62 | None | -301 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
DB00434 | 1301 | 62 | None | -301 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
1204 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1247 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
1375 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
774 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
CHEMBL90 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
DB05381 | 1932 | 119 | None | 1 | 24 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
135398737 | 958 | 93 | None | -57 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | None | -57 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | None | -57 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | None | -57 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | None | -57 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
135398737 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | 3H-Histamine | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
135398737 | 958 | 93 | 3H-PYRILAMINE | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 958 | 93 | 3H-PYRILAMINE | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 958 | 93 | 3H-PYRILAMINE | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 958 | 93 | 3H-PYRILAMINE | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 958 | 93 | 3H-PYRILAMINE | -57 | 89 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
115237 | 55585 | 119 | 3H-Histamine | -891 | 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 | 55585 | 119 | 3H-Histamine | -891 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 3846 | 26 | 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 | 3846 | 26 | 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 | 3846 | 26 | 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 | 3846 | 26 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 942 | 60 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 3804 | 49 | None | -33 | 26 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 2132 | 34 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 4064 | 16 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 953 | 41 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 2142 | 31 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 3682 | 10 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2150 | 84 | 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 | 2023 | 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 | 2023 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 295 | 12 | 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 | 3133 | 64 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
8924 | 3133 | 64 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
9948102 | 3133 | 64 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
CHEMBL462605 | 3133 | 64 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
DB11642 | 3133 | 64 | None | -48977 | 7 | Human | 4.0 | pKi | > | 4 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
441082 | 1163 | 48 | 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 | 1163 | 48 | 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 | 1163 | 48 | 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 | 2547 | 24 | 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 | 2547 | 24 | 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 | 2547 | 24 | 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 | 2547 | 24 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 940 | 74 | 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 | 2018 | 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 | 2018 | 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 | 2018 | 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 | 958 | 93 | None | -54 | 89 | 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 | 958 | 93 | None | -54 | 89 | 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 | 958 | 93 | None | -54 | 89 | 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 | 958 | 93 | None | -54 | 89 | 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 | 958 | 93 | None | -54 | 89 | 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 | 2082 | 13 | 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 | 2082 | 13 | 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 | 2082 | 13 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 1424 | 28 | 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 | 958 | 93 | None | -44 | 89 | 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 | 958 | 93 | None | -44 | 89 | 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 | 958 | 93 | None | -44 | 89 | 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 | 958 | 93 | None | -44 | 89 | 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 | 958 | 93 | None | -44 | 89 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 2500 | 8 | 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 | 1946 | 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 | 1946 | 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 | 1946 | 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 | 2040 | 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 | 2040 | 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 | 2040 | 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 | 45 | 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 | 45 | 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 | 45 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 958 | 93 | None | -57 | 89 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2067 | 25 | 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 | 2036 | 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 | 2036 | 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 | 2036 | 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 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | |||
1239 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | |||
1240 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | |||
1240 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | |||
912 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | |||
912 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | |||
CHEMBL268490 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11179436 | |||
CHEMBL268490 | 2033 | 24 | None | -154 | 5 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 125 | 3 | 2 | 2 | 0.2 | CNCCc1cnc[nH]1 | 11181941 | |||
1229 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 743 | 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 | 1932 | 119 | None | -12 | 24 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1247 | 1932 | 119 | None | -12 | 24 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1375 | 1932 | 119 | None | -12 | 24 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
774 | 1932 | 119 | None | -12 | 24 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
CHEMBL90 | 1932 | 119 | None | -12 | 24 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
DB05381 | 1932 | 119 | None | -12 | 24 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1204 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1247 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1375 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
774 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
CHEMBL90 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
DB05381 | 1932 | 119 | None | -15 | 24 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1241 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 2037 | 52 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -14 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -14 | 26 | 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 | 3804 | 49 | None | -21 | 26 | 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 | 3804 | 49 | None | -14 | 26 | 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 | 2057 | 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 | 2057 | 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 | 2057 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2019 | 20 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 2014 | 39 | 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 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | |||
1204 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | |||
1247 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | |||
1375 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | |||
774 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | |||
CHEMBL90 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179434 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11179436 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11181941 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 11561071 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15454206 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 15947036 | |||
DB05381 | 1932 | 119 | None | -3 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 16432504 | |||
11957573 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 | 2010 | 34 | 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 |