Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
168294449 | 192416 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204599 | 192416 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222793 | 192416 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5093461 | 213777 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095884 | 213777 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
164611342 | 184505 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856005 | 184505 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
155559319 | 174291 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4563363 | 174291 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
168290815 | 192371 | 0 | None | 10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5200771 | 192371 | 0 | None | 10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222529 | 192371 | 0 | None | 10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5083588 | 213758 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095633 | 213758 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
1204 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL5075713 | 213753 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095559 | 213753 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
1204 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
168268853 | 192183 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5180504 | 192183 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221353 | 192183 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
46887041 | 8672 | 0 | None | -5 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1096428 | 8672 | 0 | None | -5 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | 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 | ||
CHEMBL5092267 | 213581 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5075713 | 213753 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095559 | 213753 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
44482302 | 5550 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 321 | 6 | 4 | 4 | 1.2 | Cc1ccc(S(=O)(=O)NC(=N)NCCCc2c[nH]cn2)cc1 | 10.1021/jm900526h | ||
CHEMBL1077596 | 5550 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 321 | 6 | 4 | 4 | 1.2 | Cc1ccc(S(=O)(=O)NC(=N)NCCCc2c[nH]cn2)cc1 | 10.1021/jm900526h | ||
44481217 | 5717 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 335 | 8 | 4 | 4 | 1.0 | N=C(NCCCc1c[nH]cn1)NS(=O)(=O)CCc1ccccc1 | 10.1021/jm900526h | ||
CHEMBL1078747 | 5717 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 335 | 8 | 4 | 4 | 1.0 | N=C(NCCCc1c[nH]cn1)NS(=O)(=O)CCc1ccccc1 | 10.1021/jm900526h | ||
CHEMBL5090859 | 213509 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
CHEMBL5083588 | 213758 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095633 | 213758 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
168268853 | 192183 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5180504 | 192183 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221353 | 192183 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5077939 | 213765 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095769 | 213765 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
13170764 | 174507 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4568452 | 174507 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
168294449 | 192416 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204599 | 192416 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222793 | 192416 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
56954513 | 81671 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
CHEMBL2165645 | 81671 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
CHEMBL5092102 | 213572 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
164611757 | 184320 | 0 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853107 | 184320 | 0 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | 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 | ||
168294449 | 192416 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204599 | 192416 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222793 | 192416 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
168295528 | 192429 | 0 | None | 31 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5206565 | 192429 | 0 | None | 31 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222872 | 192429 | 0 | None | 31 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5085542 | 213199 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
13170764 | 174507 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4568452 | 174507 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
44481489 | 5637 | 0 | None | -18 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1078210 | 5637 | 0 | None | -18 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL5088914 | 213786 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095949 | 213786 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
164628701 | 185885 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876743 | 185885 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
164626370 | 185891 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876799 | 185891 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
56954517 | 81654 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
CHEMBL2165629 | 81654 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
164614645 | 184549 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856572 | 184549 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | 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 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
56954002 | 81658 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL2165633 | 81658 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
44414337 | 79729 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
CHEMBL213357 | 79729 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
90667237 | 108987 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1nc(CCCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL3220638 | 108987 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1nc(CCCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
164622190 | 185034 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4864067 | 185034 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
119570 | 3110 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
2233 | 3110 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
953 | 3110 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL301265 | 3110 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
DB00413 | 3110 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
164627189 | 185739 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4874758 | 185739 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
164610892 | 184615 | 0 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4857560 | 184615 | 0 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
164612037 | 184795 | 0 | None | -11 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4860528 | 184795 | 0 | None | -11 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
164627189 | 185739 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4874758 | 185739 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
46887042 | 8674 | 0 | None | -6 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1096430 | 8674 | 0 | None | -6 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
CHEMBL5094663 | 213730 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
168273640 | 192203 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176229 | 192203 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221444 | 192203 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
168295541 | 192438 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208845 | 192438 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222926 | 192438 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5094663 | 213730 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
126688 | 400 | 28 | None | 57 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
4025 | 400 | 28 | None | 57 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
CHEMBL293762 | 400 | 28 | None | 57 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
CHEMBL5092102 | 213572 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
44481214 | 5659 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 314 | 7 | 4 | 2 | 1.2 | NC(=O)/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1078358 | 5659 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 314 | 7 | 4 | 2 | 1.2 | NC(=O)/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
46887080 | 8460 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
CHEMBL1094452 | 8460 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
71458814 | 81672 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
CHEMBL2165646 | 81672 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
CHEMBL5076746 | 213749 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095519 | 213749 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5075106 | 213751 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095549 | 213751 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
56954227 | 81662 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
CHEMBL2165637 | 81662 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
164608815 | 183872 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846638 | 183872 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
155544816 | 174461 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4567405 | 174461 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
56954318 | 81666 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
CHEMBL2165640 | 81666 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
164627774 | 185983 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4878215 | 185983 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
155544816 | 174461 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4567405 | 174461 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
164608815 | 183872 | 0 | None | 3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846638 | 183872 | 0 | None | 3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
168286426 | 192324 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5198795 | 192324 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222241 | 192324 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
164609493 | 183854 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846380 | 183854 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
168292954 | 192395 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5202592 | 192395 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222660 | 192395 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294767 | 192417 | 0 | None | 40 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | 40 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | 40 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5075106 | 213751 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095549 | 213751 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
56954425 | 81669 | 0 | None | 13 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
CHEMBL2165643 | 81669 | 0 | None | 13 | 2 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
155523256 | 170179 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4452406 | 170179 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
56954125 | 81659 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL2165634 | 81659 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
168290235 | 192366 | 0 | None | 9 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5201074 | 192366 | 0 | None | 9 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222491 | 192366 | 0 | None | 9 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294767 | 192417 | 0 | None | 40 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | 40 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | 40 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
155523256 | 170179 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4452406 | 170179 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL5092267 | 213581 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
164609017 | 183843 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846201 | 183843 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL5093461 | 213777 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095884 | 213777 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
164617783 | 184007 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4848815 | 184007 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
46887078 | 8916 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1098442 | 8916 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
46887115 | 8426 | 0 | None | 47 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1094144 | 8426 | 0 | None | 47 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | ||
164617783 | 184007 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4848815 | 184007 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
164611342 | 184505 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856005 | 184505 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
164620704 | 185501 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4871482 | 185501 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | ||
168295541 | 192438 | 0 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208845 | 192438 | 0 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222926 | 192438 | 0 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168286426 | 192324 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5198795 | 192324 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222241 | 192324 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
1269 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
37463 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
CHEMBL275443 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
164624107 | 185140 | 0 | None | 8 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4865765 | 185140 | 0 | None | 8 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
168295528 | 192429 | 0 | None | 31 | 9 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5206565 | 192429 | 0 | None | 31 | 9 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222872 | 192429 | 0 | None | 31 | 9 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
56954129 | 81661 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
CHEMBL2165636 | 81661 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
164614645 | 184549 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856572 | 184549 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | ||
164610892 | 184615 | 0 | None | 4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4857560 | 184615 | 0 | None | 4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
155565842 | 175043 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4580450 | 175043 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
1269 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
37463 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL275443 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
168290235 | 192366 | 0 | None | 9 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5201074 | 192366 | 0 | None | 9 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222491 | 192366 | 0 | None | 9 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5094083 | 213692 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
164627020 | 185826 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876025 | 185826 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL5075713 | 213753 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095559 | 213753 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5093461 | 213777 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095884 | 213777 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5083588 | 213758 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095633 | 213758 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
164610421 | 184678 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4858567 | 184678 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
168273640 | 192203 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176229 | 192203 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221444 | 192203 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | ||
164620704 | 185501 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4871482 | 185501 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | ||
164624107 | 185140 | 0 | None | 8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4865765 | 185140 | 0 | None | 8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
155567151 | 175279 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4585616 | 175279 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
155567151 | 175279 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4585616 | 175279 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
164616851 | 184367 | 0 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853772 | 184367 | 0 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
164614549 | 184360 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853668 | 184360 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
44482300 | 5716 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 9 | 4 | 2 | 2.0 | NC(=O)/N=C(/NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1078746 | 5716 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 9 | 4 | 2 | 2.0 | NC(=O)/N=C(/NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
164628701 | 185885 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876743 | 185885 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL5087637 | 213779 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095891 | 213779 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
44481487 | 6030 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 7 | 3 | 3 | 2.3 | N#C/N=C(/NCCCC1CCCCC1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1080772 | 6030 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 7 | 3 | 3 | 2.3 | N#C/N=C(/NCCCC1CCCCC1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
59868 | 93720 | 56 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL249420 | 93720 | 56 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
168273745 | 192206 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5178472 | 192206 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221451 | 192206 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168273640 | 192203 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176229 | 192203 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221444 | 192203 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
CHEMBL5075713 | 213753 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095559 | 213753 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
44482299 | 5660 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1078359 | 5660 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
164627774 | 185983 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4878215 | 185983 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
56953998 | 81656 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL2165631 | 81656 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
164622190 | 185034 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4864067 | 185034 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
164609729 | 184515 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856059 | 184515 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | ||
56953889 | 81655 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL2165630 | 81655 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
168273745 | 192206 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5178472 | 192206 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221451 | 192206 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168294767 | 192417 | 0 | None | 40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | 40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | 40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
46887076 | 8870 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1098110 | 8870 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL5094663 | 213730 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5094663 | 213730 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
155542256 | 172515 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4519923 | 172515 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
168297879 | 191750 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 640 | 18 | 5 | 9 | 4.9 | CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 | 10.1016/j.bmc.2022.116706 | ||
CHEMBL5207008 | 191750 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 640 | 18 | 5 | 9 | 4.9 | CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 | 10.1016/j.bmc.2022.116706 | ||
164610421 | 184678 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4858567 | 184678 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
155542256 | 172515 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4519923 | 172515 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
155544839 | 174371 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4565419 | 174371 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
46887077 | 8915 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1098441 | 8915 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
155544839 | 174371 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4565419 | 174371 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
56954320 | 81667 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
CHEMBL2165641 | 81667 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
168278471 | 192246 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5183205 | 192246 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221757 | 192246 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5087637 | 213779 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095891 | 213779 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
56953887 | 81673 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL2165647 | 81673 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
168278471 | 192246 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5183205 | 192246 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221757 | 192246 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168290815 | 192371 | 0 | None | 10 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5200771 | 192371 | 0 | None | 10 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222529 | 192371 | 0 | None | 10 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
56954322 | 81668 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
CHEMBL2165642 | 81668 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
46887043 | 8675 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1096431 | 8675 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||
164611757 | 184320 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853107 | 184320 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | ||
168268853 | 192183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5180504 | 192183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221353 | 192183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5083588 | 213758 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095633 | 213758 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
25149712 | 178408 | 0 | None | -25 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL470790 | 178408 | 0 | None | -25 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
25149335 | 183643 | 0 | None | -26 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL483406 | 183643 | 0 | None | -26 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL5093461 | 213777 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095884 | 213777 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
164626153 | 185796 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4875600 | 185796 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | ||
44482299 | 5660 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1078359 | 5660 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
CHEMBL5076746 | 213749 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095519 | 213749 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5088914 | 213786 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095949 | 213786 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5085542 | 213199 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5092102 | 213572 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5094083 | 213692 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
56954515 | 81653 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
CHEMBL2165628 | 81653 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
56954000 | 81657 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL2165632 | 81657 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
CHEMBL5078202 | 213760 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095695 | 213760 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
44480707 | 5686 | 0 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
CHEMBL1078529 | 5686 | 0 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
168281746 | 192280 | 0 | None | 77 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5184911 | 192280 | 0 | None | 77 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221974 | 192280 | 0 | None | 77 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
155525816 | 170487 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4456972 | 170487 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL5077939 | 213765 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095769 | 213765 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
168292954 | 192395 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5202592 | 192395 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222660 | 192395 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
155553964 | 174884 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4576986 | 174884 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
46830167 | 8673 | 0 | None | -42 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1096429 | 8673 | 0 | None | -42 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | 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 | ||
25149521 | 178474 | 0 | None | -9 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL471413 | 178474 | 0 | None | -9 | 2 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
168281746 | 192280 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5184911 | 192280 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221974 | 192280 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
155525816 | 170487 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4456972 | 170487 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
155553964 | 174884 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4576986 | 174884 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
155565842 | 175043 | 0 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4580450 | 175043 | 0 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
164614549 | 184360 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853668 | 184360 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
59868 | 93720 | 56 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL249420 | 93720 | 56 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
155532722 | 171219 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4467878 | 171219 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL5090859 | 213509 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
155532722 | 171219 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4467878 | 171219 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
44481758 | 5638 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(\NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
CHEMBL1078212 | 5638 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(\NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
46887079 | 8424 | 0 | None | 478 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
CHEMBL1094142 | 8424 | 0 | None | 478 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
56954229 | 81663 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
CHEMBL2165638 | 81663 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
CHEMBL5094083 | 213692 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
155559319 | 174291 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
CHEMBL4563363 | 174291 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
1204 | 1901 | 114 | None | -61 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1247 | 1901 | 114 | None | -61 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1375 | 1901 | 114 | None | -61 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
774 | 1901 | 114 | None | -61 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL90 | 1901 | 114 | None | -61 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
DB05381 | 1901 | 114 | None | -61 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
44281005 | 116231 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL33743 | 116231 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL432671 | 167532 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 784 | 15 | 7 | 12 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44280028 | 98720 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL281318 | 98720 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
9896825 | 102504 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL30656 | 102504 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44281078 | 99282 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL284975 | 99282 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44280714 | 99571 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL286908 | 99571 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44281291 | 99364 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 3.9 | CC(C)(C)OC(=O)NCCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL285556 | 99364 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 3.9 | CC(C)(C)OC(=O)NCCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/S0960-894X(96)00249-1 | ||
44281292 | 114296 | 0 | None | - | 3 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL33398 | 114296 | 0 | None | - | 3 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL286835 | 99557 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 755 | 14 | 6 | 11 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCSCc4csc(C=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
1231 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
2756 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
645 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL30 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
DB00501 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
44281020 | 116144 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL33698 | 116144 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
1231 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
2756 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
645 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL30 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
DB00501 | 924 | 112 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
44279811 | 96477 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL265987 | 96477 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
44281204 | 99388 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL285719 | 99388 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44280741 | 156021 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL406844 | 156021 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44280372 | 98928 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL282645 | 98928 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL282175 | 98863 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 769 | 16 | 6 | 11 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(C=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
44280713 | 99570 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL286907 | 99570 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280740 | 99941 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL290122 | 99941 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44280200 | 100357 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL29331 | 100357 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44279861 | 102709 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL30821 | 102709 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
44279810 | 103367 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL30917 | 103367 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
44279808 | 98684 | 0 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL281082 | 98684 | 0 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
135881774 | 99197 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 415 | 10 | 4 | 8 | 2.0 | CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL284374 | 99197 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 415 | 10 | 4 | 8 | 2.0 | CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 | 10.1016/S0960-894X(96)00249-1 | ||
44281004 | 99617 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL287295 | 99617 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
44280029 | 95994 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL262125 | 95994 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
44280373 | 98929 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL282646 | 98929 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280388 | 116369 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL33819 | 116369 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44279862 | 98673 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL281017 | 98673 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280213 | 101147 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL29888 | 101147 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44281205 | 114320 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL33412 | 114320 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44279809 | 98510 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL279778 | 98510 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
44280371 | 102554 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL30701 | 102554 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280214 | 106818 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL31726 | 106818 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280266 | 98322 | 0 | None | - | 3 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL278217 | 98322 | 0 | None | - | 3 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280996 | 99283 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL284976 | 99283 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
CHEMBL285995 | 99430 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 741 | 16 | 6 | 11 | 4.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
44280215 | 99369 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL285586 | 99369 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280225 | 99501 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL286475 | 99501 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
44280224 | 104305 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
CHEMBL31090 | 104305 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
54754351 | 67875 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
CHEMBL1915535 | 67875 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
57395620 | 67874 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
CHEMBL1915534 | 67874 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
126688 | 400 | 28 | None | 57 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
4025 | 400 | 28 | None | 57 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
CHEMBL293762 | 400 | 28 | None | 57 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
1229 | 732 | 0 | None | - | 1 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 9681472 | ||
5311293 | 732 | 0 | None | - | 1 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 9681472 | ||
18381 | 215975 | 0 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 4 | 2 | 6 | 3.2 | CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl | None | ||
30699 | 215969 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
180 | 397 | 50 | None | -151 | 26 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
200 | 397 | 50 | None | -151 | 26 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
2160 | 397 | 50 | None | -151 | 26 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
CHEMBL629 | 397 | 50 | None | -151 | 26 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
DB00321 | 397 | 50 | None | -151 | 26 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
46780481 | 107045 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
25149708 | 187852 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
CHEMBL502339 | 187852 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
42625304 | 178522 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL471724 | 178522 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
25149613 | 178621 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
CHEMBL472441 | 178621 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
46890166 | 7235 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
CHEMBL1086105 | 7235 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
42625386 | 177778 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL465170 | 177778 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
90667232 | 108983 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | ||
CHEMBL3220633 | 108983 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | ||
10103168 | 25899 | 5 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
CHEMBL13559 | 25899 | 5 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
182527 | 110079 | 7 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL325327 | 110079 | 7 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
42626110 | 179189 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 310 | 5 | 4 | 2 | 1.6 | N/C(=N\C(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL474448 | 179189 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 310 | 5 | 4 | 2 | 1.6 | N/C(=N\C(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
42625224 | 180182 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL475620 | 180182 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
42625223 | 179345 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
CHEMBL474617 | 179345 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
42626109 | 179188 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL474447 | 179188 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
42625303 | 180184 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL475621 | 180184 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
90667235 | 108986 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | ||
CHEMBL3220636 | 108986 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
25149335 | 183643 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
CHEMBL483406 | 183643 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
25149335 | 183643 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
CHEMBL483406 | 183643 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
25149335 | 183643 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
CHEMBL483406 | 183643 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
10374457 | 28682 | 2 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
CHEMBL13795 | 28682 | 2 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
42625384 | 169206 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL443896 | 169206 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
90667234 | 108985 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
CHEMBL3220635 | 108985 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
25149521 | 178474 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
CHEMBL471413 | 178474 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
42625221 | 188997 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL514641 | 188997 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
42626111 | 189102 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL515428 | 189102 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
90667262 | 108992 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | ||
CHEMBL3220665 | 108992 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | ||
11829635 | 162688 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 151 | 3 | 2 | 2 | 0.9 | NCC[C@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
CHEMBL418470 | 162688 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 151 | 3 | 2 | 2 | 0.9 | NCC[C@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
42625222 | 179190 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
CHEMBL474449 | 179190 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
11539632 | 70217 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
CHEMBL194837 | 70217 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
132609385 | 157550 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 | 10.1016/j.bmc.2017.07.027 | ||
CHEMBL4086541 | 157550 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 | 10.1016/j.bmc.2017.07.027 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
17747460 | 61000 | 8 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
CHEMBL1767164 | 61000 | 8 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
10205121 | 66359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 6 | 1 | 4 | 6.5 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
CHEMBL185489 | 66359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 6 | 1 | 4 | 6.5 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
10138404 | 136359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL374218 | 136359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
9932752 | 141451 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 436 | 8 | 1 | 4 | 5.1 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL387391 | 141451 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 436 | 8 | 1 | 4 | 5.1 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
44326821 | 206174 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 559 | 12 | 5 | 6 | 2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)C | 10.1021/jm00381a002 | ||
CHEMBL96738 | 206174 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 559 | 12 | 5 | 6 | 2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)C | 10.1021/jm00381a002 | ||
CHEMBL95063 | 214140 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
135 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
11785584 | 136441 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.5 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL374459 | 136441 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.5 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
10885636 | 110527 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
CHEMBL326263 | 110527 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
1588 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
28864 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
43 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
CHEMBL157138 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
DB00589 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
176 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
657255 | 197406 | 29 | None | -3 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
CHEMBL588119 | 197406 | 29 | None | -3 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
124087 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
7157 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
814 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
CHEMBL1172 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
DB00967 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
11057 | 175575 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
3468 | 175575 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL459265 | 175575 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL64894 | 175575 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
2286 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
1353 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
11362693 | 141080 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 9 | 1 | 5 | 4.4 | COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
CHEMBL385133 | 141080 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 9 | 1 | 5 | 4.4 | COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
1201549 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
1212 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
9889247 | 84337 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL223024 | 84337 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
11071079 | 110104 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
CHEMBL325516 | 110104 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
10202996 | 84219 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 5.8 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
CHEMBL222372 | 84219 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 5.8 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
11113605 | 10407 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
CHEMBL116735 | 10407 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
11329753 | 84140 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21 | 10.1021/jm0498203 | ||
CHEMBL222083 | 84140 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21 | 10.1021/jm0498203 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
104903 | 56050 | 14 | None | -5 | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
CHEMBL1630578 | 56050 | 14 | None | -5 | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
72548703 | 161019 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
CHEMBL4128926 | 161019 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
2389 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
10139591 | 84217 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 5.5 | COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
CHEMBL222356 | 84217 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 5.5 | COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
11329754 | 141450 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21 | 10.1021/jm0498203 | ||
CHEMBL387390 | 141450 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21 | 10.1021/jm0498203 | ||
CHEMBL96946 | 214145 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
57469 | 18678 | 120 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
CHEMBL1282 | 18678 | 120 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
3198 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
3042 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
355 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
868 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
CHEMBL1123 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
DB00804 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
2247 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
9822631 | 122444 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL360791 | 122444 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
10141470 | 123040 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 494 | 8 | 1 | 5 | 6.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL361805 | 123040 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 494 | 8 | 1 | 5 | 6.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
3158 | 55974 | 21 | None | -12589 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 55974 | 21 | None | -12589 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
11476077 | 135884 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL373534 | 135884 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
5291 | 205704 | 115 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
CHEMBL941 | 205704 | 115 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
277 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
11730467 | 10925 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
CHEMBL117537 | 10925 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
CHEMBL328512 | 209551 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
CHEMBL96681 | 214141 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
2801 | 161325 | 56 | None | -12 | 28 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL1200710 | 161325 | 56 | None | -12 | 28 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL415 | 161325 | 56 | None | -12 | 28 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
11430513 | 84208 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL222217 | 84208 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
10140544 | 141107 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL385311 | 141107 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
11189839 | 83917 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 9 | 1 | 4 | 5.5 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
CHEMBL221664 | 83917 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 9 | 1 | 4 | 5.5 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
3823 | 49951 | 38 | None | -66 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
76973198 | 49951 | 38 | None | -66 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL157101 | 49951 | 38 | None | -66 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
1235 | 3763 | 32 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
3959 | 3763 | 32 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
50287 | 3763 | 32 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL269646 | 3763 | 32 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
11166846 | 83885 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL221462 | 83885 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
4543 | 169982 | 36 | None | -15 | 29 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL1201156 | 169982 | 36 | None | -15 | 29 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL445 | 169982 | 36 | None | -15 | 29 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL44345 | 212174 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
2060890 | 201359 | 26 | None | - | 0 | Rat | 3.6 | pIC50 | = | 3.6 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.2 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 | 10.1021/jm00381a002 | ||
CHEMBL63544 | 201359 | 26 | None | - | 0 | Rat | 3.6 | pIC50 | = | 3.6 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.2 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 | 10.1021/jm00381a002 | ||
2281 | 3126 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
4922 | 3126 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
893 | 3126 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
CHEMBL316561 | 3126 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
DB13431 | 3126 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
2520 | 202310 | 65 | None | -20 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL1280 | 202310 | 65 | None | -20 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL6966 | 202310 | 65 | None | -20 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
11293983 | 83875 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
CHEMBL221413 | 83875 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
2726 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
118139356 | 179143 | 20 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 435 | 7 | 2 | 7 | 3.2 | Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 | 10.1021/acs.jmedchem.0c00702 | ||
CHEMBL4744041 | 179143 | 20 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 435 | 7 | 2 | 7 | 3.2 | Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 | 10.1021/acs.jmedchem.0c00702 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
18609376 | 202656 | 61 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
6279 | 202656 | 61 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
CHEMBL717 | 202656 | 61 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
2284 | 3133 | 27 | None | -53 | 28 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3133 | 27 | None | -53 | 28 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3133 | 27 | None | -53 | 28 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3133 | 27 | None | -53 | 28 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3133 | 27 | None | -53 | 28 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
11443495 | 83932 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 10 | 1 | 5 | 5.7 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21 | 10.1021/jm0498203 | ||
CHEMBL221718 | 83932 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 10 | 1 | 5 | 5.7 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21 | 10.1021/jm0498203 | ||
10298838 | 168229 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL437519 | 168229 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
3191 | 102385 | 93 | None | -24 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102385 | 93 | None | -24 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
10162727 | 84195 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 6.0 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
CHEMBL222139 | 84195 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 6.0 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
CHEMBL2370238 | 208066 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1C(=O)O | 10.1021/jm00381a002 | ||||
CHEMBL262692 | 208800 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
CHEMBL289310 | 209126 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
CHEMBL318221 | 209466 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O | 10.1021/jm00381a002 | ||||
CHEMBL91765 | 214127 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
11211919 | 84329 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL222984 | 84329 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
10279311 | 83933 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 6.6 | COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
CHEMBL221730 | 83933 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 6.6 | COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
1599 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
3955 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
7215 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL841 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
DB00836 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
11247939 | 136581 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21 | 10.1021/jm0498203 | ||
CHEMBL374754 | 136581 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21 | 10.1021/jm0498203 | ||
10226501 | 137348 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 460 | 7 | 1 | 5 | 5.8 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
CHEMBL376202 | 137348 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 460 | 7 | 1 | 5 | 5.8 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
11282005 | 65735 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL183706 | 65735 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL330142 | 209580 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
237 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
135398737 | 944 | 89 | None | -64 | 91 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 944 | 89 | None | -64 | 91 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 944 | 89 | None | -64 | 91 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 944 | 89 | None | -64 | 91 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 944 | 89 | None | -64 | 91 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
11005810 | 10367 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
CHEMBL116463 | 10367 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
26987 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
11212029 | 84196 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.5 | COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
CHEMBL222142 | 84196 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.5 | COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
11259138 | 84588 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL223882 | 84588 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
4011 | 81996 | 43 | None | -27 | 23 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 81996 | 43 | None | -27 | 23 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL94917 | 214138 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
1530 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
1129 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
3325 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
5353622 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
5702160 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
7074 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
CHEMBL902 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
DB00927 | 1591 | 89 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
10161929 | 136663 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL374869 | 136663 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
11238716 | 83876 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 10 | 1 | 5 | 6.2 | CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL221414 | 83876 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 10 | 1 | 5 | 6.2 | CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
10204866 | 84312 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.7 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL222881 | 84312 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.7 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
11396873 | 136461 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 | 10.1021/jm0498203 | ||
CHEMBL374585 | 136461 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 | 10.1021/jm0498203 | ||
44326564 | 206136 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 531 | 12 | 6 | 6 | 1.6 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||
CHEMBL96530 | 206136 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 531 | 12 | 6 | 6 | 1.6 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||
CHEMBL1790763 | 207162 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
2812 | 4711 | 96 | None | -33 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -33 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
10478188 | 122427 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL360712 | 122427 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
645 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
11363750 | 84207 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 8 | 1 | 4 | 5.5 | CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL222214 | 84207 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 8 | 1 | 4 | 5.5 | CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
11247290 | 136180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL374059 | 136180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
10273238 | 84330 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 6 | 1 | 4 | 5.4 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
CHEMBL222985 | 84330 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 6 | 1 | 4 | 5.4 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
11351801 | 83931 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21 | 10.1021/jm0498203 | ||
CHEMBL221716 | 83931 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21 | 10.1021/jm0498203 | ||
4189 | 205195 | 91 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 205195 | 91 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 205195 | 91 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
9889248 | 84306 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL222853 | 84306 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
4601 | 205020 | 29 | None | -7 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL1201023 | 205020 | 29 | None | -7 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL900 | 205020 | 29 | None | -7 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL91752 | 214126 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
CHEMBL94448 | 214133 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm00381a002 | ||||
CHEMBL94902 | 214136 | 1 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm00381a002 | ||||
180 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
10907460 | 9735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
CHEMBL113956 | 9735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
11340290 | 64033 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL181278 | 64033 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
1210 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
1213 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2725 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
33036 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
4411 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
616 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
6976 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
716121 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
90475904 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1201353 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1554789 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL505 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB01114 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB13679 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
11328514 | 137333 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL376025 | 137333 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
9804849 | 67117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
CHEMBL189118 | 67117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
10139592 | 84580 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL223837 | 84580 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
11385692 | 136525 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
CHEMBL374675 | 136525 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
9802248 | 165690 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.4 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL426786 | 165690 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.4 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
1016 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
100 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
11202401 | 136583 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 11 | 1 | 6 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
CHEMBL374755 | 136583 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 11 | 1 | 6 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
133 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
1723 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
28693 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL19215 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
DB13520 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL5087637 | 213779 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095891 | 213779 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5093461 | 213777 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095884 | 213777 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
126688 | 400 | 28 | None | -2 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | ||
4025 | 400 | 28 | None | -2 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | ||
CHEMBL293762 | 400 | 28 | None | -2 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
119570 | 3110 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
2233 | 3110 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
953 | 3110 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL301265 | 3110 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
DB00413 | 3110 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
168268716 | 192160 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5170276 | 192160 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221176 | 192160 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168268680 | 192164 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5172675 | 192164 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221210 | 192164 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168268827 | 192177 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5179906 | 192177 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221314 | 192177 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
168268853 | 192183 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5180504 | 192183 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221353 | 192183 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168273471 | 192199 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5173079 | 192199 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221433 | 192199 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168273549 | 192201 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5174342 | 192201 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221438 | 192201 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168273640 | 192203 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176229 | 192203 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221444 | 192203 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168273745 | 192206 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5178472 | 192206 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221451 | 192206 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168274129 | 192207 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176780 | 192207 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221468 | 192207 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168275750 | 192224 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5175558 | 192224 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221581 | 192224 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168276867 | 192233 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5174278 | 192233 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221653 | 192233 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
168277996 | 192244 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5173373 | 192244 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221736 | 192244 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
168278471 | 192246 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5183205 | 192246 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221757 | 192246 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168278543 | 192249 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5184846 | 192249 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221764 | 192249 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
168280339 | 192263 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5188592 | 192263 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221885 | 192263 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168281536 | 192279 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5189006 | 192279 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221966 | 192279 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168281746 | 192280 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5184911 | 192280 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221974 | 192280 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
168283097 | 192291 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5186770 | 192291 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222043 | 192291 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
168283321 | 192293 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5183015 | 192293 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222057 | 192293 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
168283536 | 192298 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5187758 | 192298 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222074 | 192298 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168284289 | 192304 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5194860 | 192304 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222123 | 192304 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
168284480 | 192308 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5197548 | 192308 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222137 | 192308 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168286141 | 192322 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5192993 | 192322 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222231 | 192322 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168286426 | 192324 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5198795 | 192324 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222241 | 192324 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168290235 | 192366 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5201074 | 192366 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222491 | 192366 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168290815 | 192371 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5200771 | 192371 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222529 | 192371 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168291233 | 192377 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5200106 | 192377 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222556 | 192377 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168292954 | 192395 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5202592 | 192395 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222660 | 192395 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294161 | 192404 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204739 | 192404 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222742 | 192404 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
168294445 | 192408 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208113 | 192408 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222768 | 192408 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294166 | 192412 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5209081 | 192412 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222775 | 192412 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294449 | 192416 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204599 | 192416 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222793 | 192416 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
168294767 | 192417 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168294770 | 192418 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208327 | 192418 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222806 | 192418 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168294776 | 192424 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5209479 | 192424 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222831 | 192424 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168295528 | 192429 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5206565 | 192429 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222872 | 192429 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168294178 | 192433 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5205197 | 192433 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222887 | 192433 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
168295541 | 192438 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208845 | 192438 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222926 | 192438 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
168295543 | 192439 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5209021 | 192439 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222929 | 192439 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | 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 | ||
168295803 | 192443 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207206 | 192443 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222937 | 192443 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
168294182 | 192446 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208722 | 192446 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222960 | 192446 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | 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 | ||
156021166 | 177762 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4647775 | 177762 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651205 | 177762 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156015793 | 177684 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4645867 | 177684 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650701 | 177684 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156011186 | 177668 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4637893 | 177668 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650588 | 177668 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156021166 | 177762 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4647775 | 177762 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651205 | 177762 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156015041 | 177658 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4637356 | 177658 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650547 | 177658 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156015643 | 177720 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4645213 | 177720 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650968 | 177720 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156015722 | 177698 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4644467 | 177698 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650837 | 177698 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL5088914 | 213786 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095949 | 213786 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
44403829 | 71108 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
CHEMBL196143 | 71108 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
5105 | 176253 | 49 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm058225d | ||
CHEMBL46102 | 176253 | 49 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm058225d | ||
156015152 | 177731 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4641916 | 177731 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651017 | 177731 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156015793 | 177684 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4645867 | 177684 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650701 | 177684 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156015633 | 177680 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156020426 | 177680 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4648685 | 177680 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650687 | 177680 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL5094663 | 213730 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
156014823 | 177752 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4641747 | 177752 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651132 | 177752 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
156015041 | 177658 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4637356 | 177658 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650547 | 177658 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL5075713 | 213753 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095559 | 213753 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
156015643 | 177720 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4645213 | 177720 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650968 | 177720 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
5039 | 62853 | 13 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1007/s00044-004-0012-z | ||
CHEMBL1790041 | 62853 | 13 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1007/s00044-004-0012-z | ||
156015722 | 177698 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4644467 | 177698 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650837 | 177698 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL5083588 | 213758 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095633 | 213758 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
156015152 | 177731 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4641916 | 177731 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651017 | 177731 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
3032915 | 15321 | 20 | None | -25 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1007/s00044-004-0012-z | ||
CHEMBL12160 | 15321 | 20 | None | -25 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1007/s00044-004-0012-z | ||
CHEMBL5078202 | 213760 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095695 | 213760 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
156015152 | 177731 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4641916 | 177731 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651017 | 177731 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156015722 | 177698 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4644467 | 177698 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650837 | 177698 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
9990475 | 56183 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | ||
CHEMBL1632408 | 56183 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | ||
CHEMBL2448450 | 56183 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | ||
9805944 | 55934 | 31 | None | -2 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
CHEMBL1627 | 55934 | 31 | None | -2 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
164622259 | 185148 | 0 | None | 2290 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4865965 | 185148 | 0 | None | 2290 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
164610648 | 184255 | 0 | None | 87 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4852212 | 184255 | 0 | None | 87 | 4 | Human | 7.0 | pKi | = | 7 | 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 | ||
44334025 | 4479 | 0 | None | -269 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL102384 | 4479 | 0 | None | -269 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
44334781 | 5334 | 0 | None | -346 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 11 | 1 | 6 | 3.1 | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL107162 | 5334 | 0 | None | -346 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 11 | 1 | 6 | 3.1 | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
33630 | 178379 | 94 | None | -13 | 27 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL47050 | 178379 | 94 | None | -13 | 27 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
4023 | 196 | 19 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | ||
9884746 | 196 | 19 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL319000 | 196 | 19 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | ||
44335456 | 4485 | 0 | None | -316 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL102416 | 4485 | 0 | None | -316 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
10268636 | 5211 | 0 | None | -1174 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 335 | 7 | 1 | 4 | 3.3 | CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL106545 | 5211 | 0 | None | -1174 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 335 | 7 | 1 | 4 | 3.3 | CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
44304327 | 199198 | 0 | None | -2511 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.3 | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60143 | 199198 | 0 | None | -2511 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.3 | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304295 | 201181 | 0 | None | -2290 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62596 | 201181 | 0 | None | -2290 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
44304331 | 201431 | 0 | None | -2187 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.2 | N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64059 | 201431 | 0 | None | -2187 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.2 | N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44275807 | 98513 | 0 | None | -9120 | 10 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
CHEMBL27979 | 98513 | 0 | None | -9120 | 10 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
10422468 | 202457 | 0 | None | -501 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 254 | 7 | 3 | 2 | 2.4 | CC(C)/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
CHEMBL70603 | 202457 | 0 | None | -501 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 254 | 7 | 3 | 2 | 2.4 | CC(C)/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
10466840 | 202776 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
CHEMBL72424 | 202776 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
9990475 | 56183 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL1632408 | 56183 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL2448450 | 56183 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
10466840 | 202776 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL72424 | 202776 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
44334252 | 4480 | 0 | None | -323 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL102390 | 4480 | 0 | None | -323 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
44335350 | 5011 | 0 | None | -389 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 398 | 8 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105483 | 5011 | 0 | None | -389 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 398 | 8 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304211 | 101727 | 0 | None | -19054 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL302829 | 101727 | 0 | None | -19054 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
10451094 | 200786 | 0 | None | -199526 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.5 | NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL61120 | 200786 | 0 | None | -199526 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.5 | NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
29298 | 201758 | 1 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
CHEMBL65849 | 201758 | 1 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
164614645 | 184549 | 0 | None | 57 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856572 | 184549 | 0 | None | 57 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
164622886 | 185360 | 0 | None | 93 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4869389 | 185360 | 0 | None | 93 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
1588 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
28864 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
43 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
CHEMBL157138 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
DB00589 | 2294 | 24 | None | -323 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
10069595 | 201438 | 0 | None | -3235 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 11 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64100 | 201438 | 0 | None | -3235 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 11 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304318 | 201570 | 0 | None | -1584 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64608 | 201570 | 0 | None | -1584 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
112936251 | 136742 | 1 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
CHEMBL3752085 | 136742 | 1 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
127052293 | 139708 | 1 | None | -218 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
CHEMBL3805361 | 139708 | 1 | None | -218 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
176 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
164627189 | 185739 | 0 | None | 275 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4874758 | 185739 | 0 | None | 275 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
168294776 | 192424 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5209479 | 192424 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222831 | 192424 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168294445 | 192408 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208113 | 192408 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222768 | 192408 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
44304320 | 162723 | 0 | None | -4265 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL418666 | 162723 | 0 | None | -4265 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304319 | 200947 | 0 | None | -1202 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL61288 | 200947 | 0 | None | -1202 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304494 | 201303 | 0 | None | -8709 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 489 | 12 | 1 | 6 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL63125 | 201303 | 0 | None | -8709 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 489 | 12 | 1 | 6 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
132060746 | 162520 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4176474 | 162520 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
124087 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
7157 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
814 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
CHEMBL1172 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
DB00967 | 1362 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
168284289 | 192304 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5194860 | 192304 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222123 | 192304 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
44304211 | 101727 | 0 | None | -19054 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL302829 | 101727 | 0 | None | -19054 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
132060752 | 162376 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4174189 | 162376 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL5085542 | 213199 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
164626370 | 185891 | 0 | None | 1 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876799 | 185891 | 0 | None | 1 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
44304382 | 201611 | 0 | None | -1174 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64773 | 201611 | 0 | None | -1174 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
11057 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
3468 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL459265 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
CHEMBL64894 | 175575 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
164616851 | 184367 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853772 | 184367 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
2286 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
4927 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
7282 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
CHEMBL643 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
DB01069 | 3134 | 48 | None | -26 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
1353 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
3559 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
86 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
CHEMBL54 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
DB00502 | 1880 | 85 | None | -131 | 85 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
164612760 | 184135 | 0 | None | 38 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4850490 | 184135 | 0 | None | 38 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
44582678 | 180992 | 0 | None | -7 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL476839 | 180992 | 0 | None | -7 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
73353884 | 91890 | 0 | None | 2 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2429890 | 91890 | 0 | None | 2 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
44304245 | 201637 | 0 | None | -2884 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 425 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64884 | 201637 | 0 | None | -2884 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 425 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44335559 | 109221 | 0 | None | -6918 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL322873 | 109221 | 0 | None | -6918 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
1201549 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
333 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
7601 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1201203 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL438151 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
DB00245 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
168295541 | 192438 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208845 | 192438 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222926 | 192438 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
44334430 | 4388 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 10 | 1 | 5 | 3.1 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL101691 | 4388 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 10 | 1 | 5 | 3.1 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
44304457 | 201522 | 0 | None | -3981 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 376 | 10 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64408 | 201522 | 0 | None | -3981 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 376 | 10 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304431 | 201252 | 0 | None | -512 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62903 | 201252 | 0 | None | -512 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
1212 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
204 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
3372 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
CHEMBL726 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
DB00623 | 1632 | 45 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
9872676 | 77826 | 0 | None | -3090 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
CHEMBL210514 | 77826 | 0 | None | -3090 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
44304751 | 100554 | 0 | None | -338 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 11 | 0 | 4 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL294519 | 100554 | 0 | None | -338 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 11 | 0 | 4 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304990 | 201373 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 483 | 12 | 0 | 6 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL63632 | 201373 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 483 | 12 | 0 | 6 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44335225 | 163603 | 0 | None | -812 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL421026 | 163603 | 0 | None | -812 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
44304303 | 201638 | 0 | None | -954 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64896 | 201638 | 0 | None | -954 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
164621681 | 184998 | 0 | None | 64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4863523 | 184998 | 0 | None | 64 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
409544 | 201225 | 3 | None | -8912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 390 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62803 | 201225 | 3 | None | -8912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 390 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304035 | 201618 | 0 | None | -181 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 9 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64799 | 201618 | 0 | None | -181 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 9 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44304393 | 105477 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL312958 | 105477 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
10039772 | 103882 | 0 | None | -501 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 3.1 | S=C(NCCCCCc1c[nH]cn1)Nc1ccccc1 | 10.1021/jm00012a025 | ||
CHEMBL310087 | 103882 | 0 | None | -501 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 3.1 | S=C(NCCCCCc1c[nH]cn1)Nc1ccccc1 | 10.1021/jm00012a025 | ||
44304246 | 200964 | 0 | None | -1513 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 426 | 11 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL61396 | 200964 | 0 | None | -1513 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 426 | 11 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44335463 | 4389 | 0 | None | -229 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.2 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL101692 | 4389 | 0 | None | -229 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.2 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44335483 | 5221 | 0 | None | -426 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL106596 | 5221 | 0 | None | -426 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
156017225 | 177770 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4642548 | 177770 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651234 | 177770 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156015555 | 177737 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4644794 | 177737 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651059 | 177737 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156014823 | 177752 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4641747 | 177752 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651132 | 177752 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
44304412 | 199963 | 0 | None | -912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60598 | 199963 | 0 | None | -912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
59868 | 93720 | 56 | None | -20892 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL249420 | 93720 | 56 | None | -20892 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
119570 | 3110 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
2233 | 3110 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
953 | 3110 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL301265 | 3110 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
DB00413 | 3110 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
104903 | 56050 | 14 | None | -5 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
CHEMBL1630578 | 56050 | 14 | None | -5 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
CHEMBL4535474 | 212235 | 34 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
44568347 | 191055 | 0 | None | -67 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL519609 | 191055 | 0 | None | -67 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
44304560 | 102290 | 0 | None | -10715 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL305144 | 102290 | 0 | None | -10715 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304760 | 201212 | 0 | None | -229 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62741 | 201212 | 0 | None | -229 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
71525678 | 89295 | 0 | None | -1479 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
CHEMBL2376800 | 89295 | 0 | None | -1479 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
164610824 | 184527 | 0 | None | 14 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856200 | 184527 | 0 | None | 14 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
18539962 | 101661 | 0 | None | -537 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 318 | 10 | 1 | 4 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL302445 | 101661 | 0 | None | -537 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 318 | 10 | 1 | 4 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
2389 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
5073 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
96 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
CHEMBL85 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
DB00734 | 3279 | 114 | None | -275 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
164620704 | 185501 | 0 | None | 17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4871482 | 185501 | 0 | None | 17 | 4 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
44304287 | 201209 | 0 | None | -912 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 428 | 11 | 0 | 5 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62726 | 201209 | 0 | None | -912 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 428 | 11 | 0 | 5 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304310 | 201583 | 0 | None | -1995 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 415 | 10 | 0 | 4 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64667 | 201583 | 0 | None | -1995 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 415 | 10 | 0 | 4 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304349 | 201113 | 0 | None | -275 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62266 | 201113 | 0 | None | -275 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
73347825 | 92108 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432046 | 92108 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
57469 | 18678 | 120 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
CHEMBL1282 | 18678 | 120 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
168286426 | 192324 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5198795 | 192324 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222241 | 192324 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 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 | ||
135156 | 177229 | 7 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 2 | 6 | 1.7 | Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4643501 | 177229 | 7 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 2 | 6 | 1.7 | Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
69355600 | 78275 | 0 | None | -3715 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL2112461 | 78275 | 0 | None | -3715 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
44304293 | 201273 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 1 | 6 | 4.0 | N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL63002 | 201273 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 1 | 6 | 4.0 | N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
168295803 | 192443 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207206 | 192443 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222937 | 192443 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
44304283 | 201483 | 0 | None | -117 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64247 | 201483 | 0 | None | -117 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44334396 | 4847 | 0 | None | -575 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL104618 | 4847 | 0 | None | -575 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
3198 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
164622190 | 185034 | 0 | None | 93 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4864067 | 185034 | 0 | None | 93 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
10017820 | 202494 | 0 | None | -79 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1021/jm00012a025 | ||
CHEMBL70811 | 202494 | 0 | None | -79 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1021/jm00012a025 | ||
9974306 | 202769 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1021/jm00012a025 | ||
CHEMBL72372 | 202769 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1021/jm00012a025 | ||
9974306 | 202769 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL72372 | 202769 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
3042 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
355 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
868 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
CHEMBL1123 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
DB00804 | 1386 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
10343536 | 4893 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL104809 | 4893 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
71452695 | 78273 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL2112451 | 78273 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
2247 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
249 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
2603 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
CHEMBL296419 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
DB00637 | 502 | 77 | None | -56 | 41 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
44335185 | 106907 | 0 | None | -14 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.7 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL317900 | 106907 | 0 | None | -14 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.7 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304743 | 100143 | 0 | None | -97 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL291847 | 100143 | 0 | None | -97 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
164628701 | 185885 | 0 | None | 144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876743 | 185885 | 0 | None | 144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
9880208 | 4855 | 0 | None | -2041 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL104669 | 4855 | 0 | None | -2041 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
156015722 | 177698 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4644467 | 177698 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650837 | 177698 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
156015152 | 177731 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4641916 | 177731 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651017 | 177731 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
164609729 | 184515 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
CHEMBL4856059 | 184515 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
9906447 | 193904 | 1 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
CHEMBL2031738 | 193904 | 1 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
CHEMBL555146 | 193904 | 1 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
10064805 | 101906 | 0 | None | -95 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.4 | CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
CHEMBL303824 | 101906 | 0 | None | -95 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.4 | CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
73349359 | 92111 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432051 | 92111 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
44304308 | 102012 | 0 | None | -691 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 432 | 8 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL304027 | 102012 | 0 | None | -691 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 432 | 8 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44582676 | 189187 | 0 | None | -13 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL516088 | 189187 | 0 | None | -13 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
132060776 | 161852 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4165863 | 161852 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
73346042 | 91402 | 3 | None | -17782 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413153 | 91402 | 3 | None | -17782 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
44304385 | 201488 | 0 | None | -3548 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 404 | 11 | 0 | 5 | 4.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64259 | 201488 | 0 | None | -3548 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 404 | 11 | 0 | 5 | 4.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
10455457 | 201712 | 0 | None | -3019 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 10 | 0 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL65518 | 201712 | 0 | None | -3019 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 10 | 0 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304066 | 201077 | 0 | None | -407 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.0 | CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62050 | 201077 | 0 | None | -407 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.0 | CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
71452383 | 83382 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205814 | 83382 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
1235 | 3763 | 32 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
3959 | 3763 | 32 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
50287 | 3763 | 32 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
CHEMBL269646 | 3763 | 32 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
4806 | 3945 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
7351 | 3945 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
9966051 | 3945 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
CHEMBL2104993 | 3945 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
DB09068 | 3945 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
10003483 | 4576 | 0 | None | -660 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL103027 | 4576 | 0 | None | -660 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL5076746 | 213749 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095519 | 213749 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
156015638 | 177697 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL4642520 | 177697 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL4650832 | 177697 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
168281536 | 192279 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5189006 | 192279 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221966 | 192279 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
3158 | 55974 | 21 | None | -12589 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
CHEMBL1628227 | 55974 | 21 | None | -12589 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
44304399 | 201503 | 0 | None | -91 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64317 | 201503 | 0 | None | -91 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304376 | 201281 | 0 | None | -354 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL63036 | 201281 | 0 | None | -354 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304244 | 201486 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 372 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64253 | 201486 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 372 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44335384 | 4570 | 0 | None | -2630 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL102984 | 4570 | 0 | None | -2630 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
73355418 | 92114 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432056 | 92114 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
156011186 | 177668 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4637893 | 177668 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650588 | 177668 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
168294449 | 192416 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204599 | 192416 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222793 | 192416 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
168294161 | 192404 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5204739 | 192404 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222742 | 192404 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
9923186 | 107056 | 0 | None | -977 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL318801 | 107056 | 0 | None | -977 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
12192007 | 167844 | 35 | None | -724 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 191 | 2 | 2 | 2 | 0.8 | N[C@@H](C(=O)O)C1Cc2ccccc2C1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL434785 | 167844 | 35 | None | -724 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 191 | 2 | 2 | 2 | 0.8 | N[C@@H](C(=O)O)C1Cc2ccccc2C1 | 10.1016/s0960-894x(02)00310-4 | ||
44304013 | 201205 | 0 | None | -363 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 401 | 8 | 1 | 5 | 2.6 | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62716 | 201205 | 0 | None | -363 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 401 | 8 | 1 | 5 | 2.6 | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
72901200 | 119272 | 21 | None | -1318 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | nan | ||
CHEMBL3480577 | 119272 | 21 | None | -1318 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | nan | ||
5291 | 205704 | 115 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
CHEMBL941 | 205704 | 115 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
44304259 | 100148 | 0 | None | -660 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 462 | 11 | 0 | 5 | 5.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL291882 | 100148 | 0 | None | -660 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 462 | 11 | 0 | 5 | 5.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
10341609 | 198586 | 0 | None | -4365 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 1 | 5 | 3.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL59715 | 198586 | 0 | None | -4365 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 1 | 5 | 3.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
277 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
2913 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
765 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
CHEMBL516 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
DB00434 | 1274 | 55 | None | -43 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
153287553 | 170538 | 0 | None | -316 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
CHEMBL4457754 | 170538 | 0 | None | -316 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
164619039 | 185566 | 0 | None | 17 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4872277 | 185566 | 0 | None | 17 | 2 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
10263017 | 205729 | 2 | None | -31 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 10 | 2 | 2 | 3.0 | NCCCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
CHEMBL94249 | 205729 | 2 | None | -31 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 10 | 2 | 2 | 3.0 | NCCCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
44304247 | 201121 | 0 | None | -1905 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 0 | 5 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62312 | 201121 | 0 | None | -1905 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 0 | 5 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
5250783 | 168821 | 3 | None | -1995 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | C/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
CHEMBL44220 | 168821 | 3 | None | -1995 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | C/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
164626153 | 185796 | 0 | None | 4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4875600 | 185796 | 0 | None | 4 | 6 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
2801 | 161325 | 56 | None | -12 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL1200710 | 161325 | 56 | None | -12 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
CHEMBL415 | 161325 | 56 | None | -12 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
156015243 | 177663 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4648203 | 177663 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650564 | 177663 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
44304068 | 101877 | 0 | None | -125 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 1 | 5 | 3.5 | N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL303737 | 101877 | 0 | None | -125 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 1 | 5 | 3.5 | N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304030 | 199277 | 0 | None | -154 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 511 | 11 | 1 | 5 | 4.4 | N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60189 | 199277 | 0 | None | -154 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 511 | 11 | 1 | 5 | 4.4 | N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304991 | 201372 | 0 | None | -1659 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 12 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL63631 | 201372 | 0 | None | -1659 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 12 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304294 | 201274 | 0 | None | -97 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 485 | 10 | 1 | 5 | 3.9 | N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL63003 | 201274 | 0 | None | -97 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 485 | 10 | 1 | 5 | 3.9 | N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL4520788 | 212225 | 6 | None | 3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
156021166 | 177762 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4647775 | 177762 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651205 | 177762 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL5094663 | 213730 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
21830793 | 91403 | 5 | None | -14125 | 46 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
CHEMBL2413154 | 91403 | 5 | None | -14125 | 46 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
11948707 | 165614 | 0 | None | -5248 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
CHEMBL426317 | 165614 | 0 | None | -5248 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
168295543 | 192439 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5209021 | 192439 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222929 | 192439 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | ||
44304459 | 172031 | 0 | None | -575 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL449040 | 172031 | 0 | None | -575 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
53320569 | 56559 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL1643899 | 56559 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
53320569 | 56559 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1643899 | 56559 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
3823 | 49951 | 38 | None | -66 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
76973198 | 49951 | 38 | None | -66 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
CHEMBL157101 | 49951 | 38 | None | -66 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
168283536 | 192298 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5187758 | 192298 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222074 | 192298 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
44304021 | 102322 | 0 | None | -562 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL305313 | 102322 | 0 | None | -562 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
168278471 | 192246 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5183205 | 192246 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221757 | 192246 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
44334235 | 4563 | 0 | None | -199 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL102929 | 4563 | 0 | None | -199 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
44334503 | 4926 | 0 | None | -144 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 3 | 6 | 0.2 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL104994 | 4926 | 0 | None | -144 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 3 | 6 | 0.2 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
44304036 | 96334 | 0 | None | -407 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 3.0 | C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL264761 | 96334 | 0 | None | -407 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 3.0 | C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304269 | 100078 | 0 | None | -3548 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL291394 | 100078 | 0 | None | -3548 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304037 | 102220 | 0 | None | -6165 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 3.2 | CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL304714 | 102220 | 0 | None | -6165 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 3.2 | CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL5094083 | 213692 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
164611143 | 184133 | 0 | None | 75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4850448 | 184133 | 0 | None | 75 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
44304438 | 201478 | 0 | None | -2089 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 420 | 13 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64235 | 201478 | 0 | None | -2089 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 420 | 13 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304307 | 201542 | 0 | None | -3548 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 388 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64479 | 201542 | 0 | None | -3548 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 388 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44335405 | 5034 | 0 | None | -194 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 2.9 | N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105594 | 5034 | 0 | None | -194 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 2.9 | N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
44304415 | 200343 | 0 | None | -9549 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 505 | 13 | 2 | 7 | 3.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60837 | 200343 | 0 | None | -9549 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 505 | 13 | 2 | 7 | 3.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
4543 | 169982 | 36 | None | -15 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL1201156 | 169982 | 36 | None | -15 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
CHEMBL445 | 169982 | 36 | None | -15 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
44334214 | 4547 | 0 | None | -380 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 9 | 1 | 6 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL102840 | 4547 | 0 | None | -380 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 9 | 1 | 6 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
168268827 | 192177 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5179906 | 192177 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221314 | 192177 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
168294770 | 192418 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208327 | 192418 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222806 | 192418 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
44304325 | 199993 | 0 | None | -1096 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 11 | 1 | 4 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL60620 | 199993 | 0 | None | -1096 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 11 | 1 | 4 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44335368 | 4981 | 0 | None | -63 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105268 | 4981 | 0 | None | -63 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44335238 | 5020 | 0 | None | -11220 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 5.3 | CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105515 | 5020 | 0 | None | -11220 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 5.3 | CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
44333987 | 108062 | 0 | None | -26 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL320174 | 108062 | 0 | None | -26 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
44582675 | 189109 | 0 | None | -40 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL515472 | 189109 | 0 | None | -40 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
168283321 | 192293 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5183015 | 192293 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222057 | 192293 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
44304437 | 100527 | 0 | None | -426 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 11 | 1 | 5 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL294349 | 100527 | 0 | None | -426 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 11 | 1 | 5 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304049 | 101668 | 0 | None | -891 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 2.9 | N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL302468 | 101668 | 0 | None | -891 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 2.9 | N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00310-4 | ||
146025727 | 171119 | 0 | None | -93 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4466483 | 171119 | 0 | None | -93 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL5087637 | 213779 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095891 | 213779 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
44304304 | 169496 | 0 | None | -3981 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 423 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL444307 | 169496 | 0 | None | -3981 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 423 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
1248 | 1396 | 27 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
3077 | 1396 | 27 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
90045 | 1396 | 27 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL12344 | 1396 | 27 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
145988693 | 166613 | 0 | None | -10 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4291048 | 166613 | 0 | None | -10 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
2520 | 202310 | 65 | None | -20 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL1280 | 202310 | 65 | None | -20 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
CHEMBL6966 | 202310 | 65 | None | -20 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
2726 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
168273745 | 192206 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5178472 | 192206 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221451 | 192206 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
155543832 | 172640 | 0 | None | -234 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4522864 | 172640 | 0 | None | -234 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
CHEMBL5077939 | 213765 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095769 | 213765 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5093461 | 213777 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095884 | 213777 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
1204 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
156015793 | 177684 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4645867 | 177684 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650701 | 177684 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
44304091 | 201262 | 0 | None | -338 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 14 | 0 | 5 | 5.2 | CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62949 | 201262 | 0 | None | -338 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 14 | 0 | 5 | 5.2 | CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304516 | 164804 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL423666 | 164804 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
18609376 | 202656 | 61 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
6279 | 202656 | 61 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
CHEMBL717 | 202656 | 61 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
44304256 | 167456 | 0 | None | -1000 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 360 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL432144 | 167456 | 0 | None | -1000 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 360 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304032 | 199802 | 0 | None | -616 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 11 | 0 | 6 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL60509 | 199802 | 0 | None | -616 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 11 | 0 | 6 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
53324045 | 56776 | 0 | None | -7 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL1644980 | 56776 | 0 | None | -7 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
164614549 | 184360 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853668 | 184360 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
164619208 | 185080 | 0 | None | 446 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4864852 | 185080 | 0 | None | 446 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
2284 | 3133 | 27 | None | -53 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
4926 | 3133 | 27 | None | -53 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
7281 | 3133 | 27 | None | -53 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
CHEMBL564 | 3133 | 27 | None | -53 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
DB00420 | 3133 | 27 | None | -53 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
71525681 | 89298 | 0 | None | -346 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
CHEMBL2376803 | 89298 | 0 | None | -346 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
132060743 | 161686 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4163428 | 161686 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
3191 | 102385 | 93 | None | -24 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL305660 | 102385 | 93 | None | -24 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
44335387 | 108063 | 0 | None | -1023 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL320178 | 108063 | 0 | None | -1023 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44334406 | 4794 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL104344 | 4794 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
44334368 | 108730 | 0 | None | -57 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 3.9 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL321709 | 108730 | 0 | None | -57 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 3.9 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
44304291 | 201164 | 0 | None | -6606 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 388 | 11 | 0 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62527 | 201164 | 0 | None | -6606 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 388 | 11 | 0 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
168294767 | 192417 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5207281 | 192417 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222802 | 192417 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5078202 | 213760 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095695 | 213760 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
164627241 | 185847 | 0 | None | 95 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876267 | 185847 | 0 | None | 95 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
164618508 | 185350 | 0 | None | 165 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4869194 | 185350 | 0 | None | 165 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
10324985 | 76428 | 7 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
CHEMBL199824 | 76428 | 7 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
CHEMBL2068762 | 76428 | 7 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
156010170 | 177759 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4632998 | 177759 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4651192 | 177759 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
168277996 | 192244 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5173373 | 192244 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221736 | 192244 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
168278543 | 192249 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5184846 | 192249 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221764 | 192249 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
1599 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
3955 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
7215 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL841 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
DB00836 | 2309 | 47 | None | -154 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
73349361 | 92116 | 0 | None | -3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432058 | 92116 | 0 | None | -3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
168294178 | 192433 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5205197 | 192433 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222887 | 192433 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
164609493 | 183854 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846380 | 183854 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
164614907 | 184001 | 0 | None | 323 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4848697 | 184001 | 0 | None | 323 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
44334521 | 107350 | 0 | None | -36 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL319231 | 107350 | 0 | None | -36 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
168286141 | 192322 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5192993 | 192322 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222231 | 192322 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
50898777 | 56146 | 0 | None | -29512 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
CHEMBL1632158 | 56146 | 0 | None | -29512 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
11723317 | 102421 | 0 | None | -100 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 9 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm00012a025 | ||
CHEMBL305929 | 102421 | 0 | None | -100 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 9 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm00012a025 | ||
164610421 | 184678 | 0 | None | 7 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4858567 | 184678 | 0 | None | 7 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
71525679 | 89296 | 0 | None | -223 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
CHEMBL2376801 | 89296 | 0 | None | -223 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
10420190 | 205033 | 0 | None | -31 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.3 | NCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
CHEMBL90063 | 205033 | 0 | None | -31 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.3 | NCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
44304558 | 100550 | 0 | None | -10000 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL294502 | 100550 | 0 | None | -10000 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304288 | 101737 | 0 | None | -14791 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 386 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL302886 | 101737 | 0 | None | -14791 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 386 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304451 | 101820 | 0 | None | -1862 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL303369 | 101820 | 0 | None | -1862 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
25128822 | 186898 | 0 | None | -5888 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
CHEMBL494093 | 186898 | 0 | None | -5888 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
44455426 | 154610 | 0 | None | -44 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL402143 | 154610 | 0 | None | -44 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
71456046 | 83661 | 0 | None | -2089 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 6 | 0 | 4 | 4.2 | COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
CHEMBL2207637 | 83661 | 0 | None | -2089 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 6 | 0 | 4 | 4.2 | COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
44307779 | 201865 | 0 | None | -275 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 2 | 0 | 2 | 4.7 | C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1 | 10.1016/s0960-894x(03)00356-1 | ||
CHEMBL66660 | 201865 | 0 | None | -275 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 2 | 0 | 2 | 4.7 | C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1 | 10.1016/s0960-894x(03)00356-1 | ||
156015643 | 177720 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4645213 | 177720 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650968 | 177720 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL5092102 | 213572 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
168274129 | 192207 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176780 | 192207 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221468 | 192207 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
44334212 | 4561 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 5 | 3.7 | CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL102925 | 4561 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 5 | 3.7 | CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
168273549 | 192201 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5174342 | 192201 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221438 | 192201 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
44335430 | 5225 | 0 | None | -144 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL106602 | 5225 | 0 | None | -144 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304064 | 102337 | 0 | None | -1096 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 10 | 2 | 6 | 2.5 | N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL305371 | 102337 | 0 | None | -1096 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 10 | 2 | 6 | 2.5 | N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
164611807 | 184401 | 0 | None | 162 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4854278 | 184401 | 0 | None | 162 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
122442272 | 137820 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 137820 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 137820 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
122442272 | 137820 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3769968 | 137820 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
CHEMBL3771384 | 137820 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
44335336 | 4490 | 0 | None | -263 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.4 | N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL102452 | 4490 | 0 | None | -263 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.4 | N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
168268680 | 192164 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5172675 | 192164 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221210 | 192164 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
44304445 | 201299 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL63112 | 201299 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
44304462 | 201193 | 0 | None | -4897 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 405 | 12 | 2 | 6 | 1.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62660 | 201193 | 0 | None | -4897 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 405 | 12 | 2 | 6 | 1.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
44304741 | 201228 | 0 | None | -3388 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62808 | 201228 | 0 | None | -3388 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
73355417 | 92107 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432045 | 92107 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
237 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL546257 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL554190 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
CHEMBL7568 | 203157 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
164614841 | 184692 | 0 | None | 223 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4858849 | 184692 | 0 | None | 223 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
44333988 | 4467 | 0 | None | -93 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 8 | 1 | 5 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL102331 | 4467 | 0 | None | -93 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 8 | 1 | 5 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
156013896 | 177665 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL4635634 | 177665 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
CHEMBL4650570 | 177665 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | ||
135398737 | 944 | 89 | None | -64 | 91 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
38 | 944 | 89 | None | -64 | 91 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
722 | 944 | 89 | None | -64 | 91 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
CHEMBL42 | 944 | 89 | None | -64 | 91 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
DB00363 | 944 | 89 | None | -64 | 91 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
71455894 | 83388 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205827 | 83388 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
71455894 | 83388 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2205827 | 83388 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
44335407 | 171278 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL446885 | 171278 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
26987 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
6063 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
671 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
CHEMBL1626 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
DB00283 | 936 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
155513890 | 169254 | 0 | None | -177 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 369 | 2 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
CHEMBL4439593 | 169254 | 0 | None | -177 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 369 | 2 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
126720252 | 164123 | 0 | None | -12 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
CHEMBL4216870 | 164123 | 0 | None | -12 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
164618283 | 183961 | 0 | None | 158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4848026 | 183961 | 0 | None | 158 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
44304282 | 201423 | 0 | None | -12 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64021 | 201423 | 0 | None | -12 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44304383 | 201612 | 0 | None | -371 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 418 | 12 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64775 | 201612 | 0 | None | -371 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 418 | 12 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304753 | 201505 | 0 | None | -4073 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64321 | 201505 | 0 | None | -4073 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
9818650 | 201831 | 0 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 5 | 1 | 3 | 4.4 | c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3 | 10.1016/s0960-894x(03)00356-1 | ||
CHEMBL66388 | 201831 | 0 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 5 | 1 | 3 | 4.4 | c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3 | 10.1016/s0960-894x(03)00356-1 | ||
CHEMBL4777443 | 212286 | 0 | None | -181 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||||
44334782 | 5353 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL107293 | 5353 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
168276867 | 192233 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5174278 | 192233 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221653 | 192233 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
44335571 | 5200 | 0 | None | -1513 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL106483 | 5200 | 0 | None | -1513 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
44304450 | 201179 | 0 | None | -478 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62592 | 201179 | 0 | None | -478 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
168283097 | 192291 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5186770 | 192291 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222043 | 192291 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
168284480 | 192308 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5197548 | 192308 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222137 | 192308 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
73346334 | 92109 | 0 | None | -4 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432048 | 92109 | 0 | None | -4 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
164608815 | 183872 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846638 | 183872 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
4011 | 81996 | 43 | None | -27 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
CHEMBL21731 | 81996 | 43 | None | -27 | 23 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
44335237 | 5052 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 7 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105669 | 5052 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 7 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
3032915 | 15321 | 20 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
CHEMBL12160 | 15321 | 20 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
10085839 | 202797 | 0 | None | -125 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 294 | 7 | 3 | 2 | 2.9 | S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 | 10.1021/jm00012a025 | ||
CHEMBL72571 | 202797 | 0 | None | -125 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 294 | 7 | 3 | 2 | 2.9 | S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 | 10.1021/jm00012a025 | ||
3032915 | 15321 | 20 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL12160 | 15321 | 20 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
164619427 | 185487 | 0 | None | 7 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4871221 | 185487 | 0 | None | 7 | 2 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
44304387 | 201239 | 0 | None | -7943 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 334 | 7 | 0 | 5 | 2.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62840 | 201239 | 0 | None | -7943 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 334 | 7 | 0 | 5 | 2.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44304312 | 162237 | 0 | None | -1348 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 453 | 10 | 1 | 5 | 2.9 | N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL417215 | 162237 | 0 | None | -1348 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 453 | 10 | 1 | 5 | 2.9 | N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
164612037 | 184795 | 0 | None | -85 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4860528 | 184795 | 0 | None | -85 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
46884734 | 7890 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 3.7 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 | 10.1016/j.bmcl.2010.07.117 | ||
CHEMBL1090526 | 7890 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 3.7 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 | 10.1016/j.bmcl.2010.07.117 | ||
168273471 | 192199 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5173079 | 192199 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221433 | 192199 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
71452382 | 83380 | 0 | None | -12 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205812 | 83380 | 0 | None | -12 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
44334035 | 109556 | 0 | None | -79 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 4.1 | O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL323517 | 109556 | 0 | None | -79 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 4.1 | O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1 | 10.1016/s0960-894x(02)00685-6 | ||
44334281 | 4691 | 0 | None | -128 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL103828 | 4691 | 0 | None | -128 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
145980875 | 166154 | 0 | None | -3 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4282702 | 166154 | 0 | None | -3 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
1530 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
3827 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
7206 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL534 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
DB00920 | 2151 | 44 | None | -151 | 20 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
CHEMBL5090859 | 213509 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
44478385 | 5699 | 2 | None | -70 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
CHEMBL1078642 | 5699 | 2 | None | -70 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
44304012 | 201144 | 0 | None | -21379 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 11 | 1 | 5 | 2.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62421 | 201144 | 0 | None | -21379 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 11 | 1 | 5 | 2.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
1129 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
3325 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
5353622 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
5702160 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
7074 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
CHEMBL902 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
DB00927 | 1591 | 89 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
12016525 | 201226 | 0 | None | -2041 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL62804 | 201226 | 0 | None | -2041 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
71457844 | 83662 | 0 | None | -2187 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 5.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
CHEMBL2207638 | 83662 | 0 | None | -2187 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 5.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
50878551 | 90314 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL2391541 | 90314 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
164608941 | 183801 | 0 | None | 75 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
CHEMBL4845733 | 183801 | 0 | None | 75 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
50878551 | 90314 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
CHEMBL2391541 | 90314 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
44304309 | 168650 | 0 | None | -630 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 414 | 8 | 0 | 5 | 3.6 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL440864 | 168650 | 0 | None | -630 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 414 | 8 | 0 | 5 | 3.6 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
164627020 | 185826 | 0 | None | 144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4876025 | 185826 | 0 | None | 144 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
53324553 | 56560 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL1643900 | 56560 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
53324553 | 56560 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1643900 | 56560 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
53325861 | 56561 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
CHEMBL1643902 | 56561 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
53325861 | 56561 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL1643902 | 56561 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
44304449 | 198815 | 0 | None | -309 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL59870 | 198815 | 0 | None | -309 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
164626509 | 185753 | 0 | None | 3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4874969 | 185753 | 0 | None | 3 | 2 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
168280339 | 192263 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5188592 | 192263 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221885 | 192263 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
168294166 | 192412 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5209081 | 192412 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222775 | 192412 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
44304014 | 100318 | 0 | None | -5370 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 431 | 10 | 1 | 6 | 2.3 | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL293033 | 100318 | 0 | None | -5370 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 431 | 10 | 1 | 6 | 2.3 | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
164622153 | 184986 | 0 | None | 95 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4863347 | 184986 | 0 | None | 95 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
71459761 | 83666 | 0 | None | -75 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 0 | 5 | 6.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
CHEMBL2207642 | 83666 | 0 | None | -75 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 0 | 5 | 6.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
44334556 | 106783 | 0 | None | -77 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL316968 | 106783 | 0 | None | -77 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
44304377 | 201089 | 0 | None | -2570 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 0 | 6 | 3.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62115 | 201089 | 0 | None | -2570 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 0 | 6 | 3.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304313 | 199900 | 0 | None | -2041 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 10 | 1 | 6 | 2.8 | N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60559 | 199900 | 0 | None | -2041 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 10 | 1 | 6 | 2.8 | N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304277 | 100480 | 0 | None | -645 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.4 | CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL294087 | 100480 | 0 | None | -645 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.4 | CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C | 10.1016/s0960-894x(02)00310-4 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
44467360 | 124015 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | ||
CHEMBL3640290 | 124015 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | ||
168295528 | 192429 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5206565 | 192429 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222872 | 192429 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168290815 | 192371 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5200771 | 192371 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222529 | 192371 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
168273640 | 192203 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5176229 | 192203 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221444 | 192203 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
46780481 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
9903970 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3187365 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3544974 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
46780481 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
9903970 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3187365 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3544974 | 107045 | 18 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
44334395 | 4892 | 0 | None | -144 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL104808 | 4892 | 0 | None | -144 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
44334265 | 109195 | 0 | None | -25 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 368 | 8 | 1 | 6 | 2.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL322695 | 109195 | 0 | None | -25 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 368 | 8 | 1 | 6 | 2.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
44334521 | 107350 | 0 | None | -36 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL319231 | 107350 | 0 | None | -36 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
1226 | 1988 | 16 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
41376 | 1988 | 16 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL12608 | 1988 | 16 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
10015196 | 103145 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 8 | 3 | 2 | 2.4 | CCC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
CHEMBL308717 | 103145 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 8 | 3 | 2 | 2.4 | CCC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
44304056 | 102251 | 0 | None | -5754 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.6 | CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL304888 | 102251 | 0 | None | -5754 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.6 | CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304316 | 201443 | 0 | None | -416 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 3.6 | CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64120 | 201443 | 0 | None | -416 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 3.6 | CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
132060770 | 162089 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4169689 | 162089 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
2812 | 4711 | 96 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
CHEMBL104 | 4711 | 96 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
164622330 | 185280 | 0 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4867962 | 185280 | 0 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
164627774 | 185983 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4878215 | 185983 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
71452172 | 83105 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
CHEMBL2203551 | 83105 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
155552683 | 173594 | 0 | None | -40 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 4 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
CHEMBL4546937 | 173594 | 0 | None | -40 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 4 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
164622256 | 185134 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 318 | 4 | 4 | 4 | 2.2 | CCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4865670 | 185134 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 318 | 4 | 4 | 4 | 2.2 | CCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
145992489 | 166424 | 0 | None | -1 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL4287623 | 166424 | 0 | None | -1 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
168290235 | 192366 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5201074 | 192366 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222491 | 192366 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
71454295 | 83665 | 0 | None | -660 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 0 | 6 | 5.5 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
CHEMBL2207641 | 83665 | 0 | None | -660 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 0 | 6 | 5.5 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
44304329 | 201536 | 0 | None | -1778 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 385 | 8 | 1 | 5 | 1.9 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64461 | 201536 | 0 | None | -1778 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 385 | 8 | 1 | 5 | 1.9 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
24841480 | 183317 | 0 | None | -269 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL481153 | 183317 | 0 | None | -269 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
645 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
155558968 | 174246 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4562437 | 174246 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
53325242 | 56775 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
CHEMBL1644978 | 56775 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
162644910 | 178831 | 0 | None | -50 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1 | 10.1016/j.ejmech.2020.113041 | ||
CHEMBL4740135 | 178831 | 0 | None | -50 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1 | 10.1016/j.ejmech.2020.113041 | ||
168268716 | 192160 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5170276 | 192160 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221176 | 192160 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
71450707 | 83664 | 0 | None | -1445 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
CHEMBL2207640 | 83664 | 0 | None | -1445 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
155531772 | 176092 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL4466349 | 176092 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL4598197 | 176092 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | ||
CHEMBL5083588 | 213758 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095633 | 213758 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
44335351 | 4998 | 0 | None | -29 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 7 | 0 | 4 | 4.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105385 | 4998 | 0 | None | -29 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 7 | 0 | 4 | 4.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
168275750 | 192224 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5175558 | 192224 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221581 | 192224 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
44304475 | 201079 | 0 | None | -10471 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 348 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62066 | 201079 | 0 | None | -10471 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 348 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44335222 | 162904 | 0 | None | -20 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 369 | 7 | 0 | 5 | 3.3 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL419912 | 162904 | 0 | None | -20 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 369 | 7 | 0 | 5 | 3.3 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304357 | 198926 | 0 | None | -4786 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 9 | 1 | 5 | 3.0 | CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL59931 | 198926 | 0 | None | -4786 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 9 | 1 | 5 | 3.0 | CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
137645406 | 157360 | 0 | None | -75 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
CHEMBL4084262 | 157360 | 0 | None | -75 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
168294182 | 192446 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5208722 | 192446 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222960 | 192446 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
168268853 | 192183 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5180504 | 192183 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221353 | 192183 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
164609017 | 183843 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4846201 | 183843 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
164610289 | 184550 | 0 | None | 38 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856602 | 184550 | 0 | None | 38 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
44304378 | 162721 | 0 | None | -2951 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL418658 | 162721 | 0 | None | -2951 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304348 | 100136 | 0 | None | -15135 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 387 | 10 | 1 | 5 | 2.3 | CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL291821 | 100136 | 0 | None | -15135 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 387 | 10 | 1 | 5 | 2.3 | CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44334036 | 167229 | 0 | None | -154 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 3.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL430502 | 167229 | 0 | None | -154 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 3.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
71454294 | 83663 | 0 | None | -1348 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
CHEMBL2207639 | 83663 | 0 | None | -1348 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
71449142 | 79108 | 0 | None | -104 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 6 | 4.2 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL2113738 | 79108 | 0 | None | -104 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 6 | 4.2 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44334037 | 4380 | 0 | None | -112 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 1 | 7 | 3.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL101634 | 4380 | 0 | None | -112 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 1 | 7 | 3.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
73355415 | 92101 | 0 | None | -32 | 13 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432039 | 92101 | 0 | None | -32 | 13 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL5092267 | 213581 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
164611474 | 184870 | 0 | None | 407 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4861704 | 184870 | 0 | None | 407 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
164624107 | 185140 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4865765 | 185140 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
164620678 | 185437 | 0 | None | 177 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4870510 | 185437 | 0 | None | 177 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
126688 | 400 | 28 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
4025 | 400 | 28 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL293762 | 400 | 28 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
155551348 | 173385 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 7 | 1 | 9 | 3.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12 | 10.1021/acs.jmedchem.8b01662 | ||
CHEMBL4541409 | 173385 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 7 | 1 | 9 | 3.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12 | 10.1021/acs.jmedchem.8b01662 | ||
168292954 | 192395 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5202592 | 192395 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222660 | 192395 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
162676676 | 183007 | 0 | None | -323 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 0 | 5 | 4.5 | c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
CHEMBL4800672 | 183007 | 0 | None | -323 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 0 | 5 | 4.5 | c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
CHEMBL5075713 | 213753 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095559 | 213753 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
4189 | 205195 | 91 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL1559 | 205195 | 91 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
CHEMBL91 | 205195 | 91 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
130442572 | 171342 | 0 | None | -144 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4469848 | 171342 | 0 | None | -144 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
181743 | 177997 | 3 | None | -338 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
CHEMBL467094 | 177997 | 3 | None | -338 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
168291233 | 192377 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5200106 | 192377 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5222556 | 192377 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
44304031 | 100205 | 0 | None | -933 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 452 | 10 | 0 | 6 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL292275 | 100205 | 0 | None | -933 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 452 | 10 | 0 | 6 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
18672441 | 94951 | 0 | None | -9332 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 306 | 6 | 0 | 3 | 4.1 | N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL25688 | 94951 | 0 | None | -9332 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 306 | 6 | 0 | 3 | 4.1 | N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
4601 | 205020 | 29 | None | -7 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL1201023 | 205020 | 29 | None | -7 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
CHEMBL900 | 205020 | 29 | None | -7 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
162664702 | 181628 | 0 | None | -50 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
CHEMBL4783066 | 181628 | 0 | None | -50 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
164611342 | 184505 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4856005 | 184505 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
164618690 | 185574 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4872375 | 185574 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
127035835 | 136761 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
CHEMBL3752270 | 136761 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
44304079 | 200939 | 0 | None | -9549 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 376 | 9 | 0 | 5 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL61231 | 200939 | 0 | None | -9549 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 376 | 9 | 0 | 5 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44335428 | 4915 | 0 | None | -79 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 358 | 7 | 1 | 5 | 2.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL104947 | 4915 | 0 | None | -79 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 358 | 7 | 1 | 5 | 2.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
164610892 | 184615 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4857560 | 184615 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
44334407 | 108598 | 0 | None | -229 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL321320 | 108598 | 0 | None | -229 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
44304402 | 199527 | 0 | None | -426 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 12 | 0 | 6 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL60360 | 199527 | 0 | None | -426 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 12 | 0 | 6 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
1258 | 194 | 8 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | ||
9906860 | 194 | 8 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL302196 | 194 | 8 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | ||
44334042 | 162937 | 0 | None | -64 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL420108 | 162937 | 0 | None | -64 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
44334234 | 109191 | 0 | None | -707 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 10 | 1 | 7 | 1.8 | Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL322678 | 109191 | 0 | None | -707 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 10 | 1 | 7 | 1.8 | Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
180 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
200 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
2160 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
CHEMBL629 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
DB00321 | 397 | 50 | None | -1412 | 38 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
164611757 | 184320 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4853107 | 184320 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
44304003 | 201444 | 0 | None | -2511 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 384 | 9 | 1 | 6 | 1.4 | N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64124 | 201444 | 0 | None | -2511 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 384 | 9 | 1 | 6 | 1.4 | N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
127052294 | 139772 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
CHEMBL3806079 | 139772 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
71463063 | 83387 | 0 | None | -11 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205825 | 83387 | 0 | None | -11 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
44334369 | 4945 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL105071 | 4945 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
127049856 | 139715 | 0 | None | -25 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
CHEMBL3805431 | 139715 | 0 | None | -25 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
9923147 | 4980 | 0 | None | -1202 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 3.0 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105267 | 4980 | 0 | None | -1202 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 3.0 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
71463061 | 83381 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205813 | 83381 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
162662563 | 181464 | 0 | None | -123 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 4.5 | Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
CHEMBL4781093 | 181464 | 0 | None | -123 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 4.5 | Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
44435200 | 149143 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
CHEMBL394755 | 149143 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
44335389 | 5097 | 0 | None | -46 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105952 | 5097 | 0 | None | -46 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304243 | 201509 | 0 | None | -562 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 374 | 13 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL64334 | 201509 | 0 | None | -562 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 374 | 13 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
156015041 | 177658 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4637356 | 177658 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
CHEMBL4650547 | 177658 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
164617783 | 184007 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4848815 | 184007 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
11393516 | 5102 | 0 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105967 | 5102 | 0 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
75306277 | 108767 | 0 | None | -39 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
CHEMBL3217984 | 108767 | 0 | None | -39 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
44304088 | 200700 | 0 | None | -316 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 8 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL61070 | 200700 | 0 | None | -316 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 8 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
1269 | 121 | 33 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
37463 | 121 | 33 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
CHEMBL275443 | 121 | 33 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
44304090 | 201261 | 0 | None | -16982 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL62948 | 201261 | 0 | None | -16982 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44304067 | 199598 | 0 | None | -34673 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.4 | CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60401 | 199598 | 0 | None | -34673 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.4 | CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
168281746 | 192280 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5184911 | 192280 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
CHEMBL5221974 | 192280 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
75201901 | 165872 | 14 | None | -588 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4277264 | 165872 | 14 | None | -588 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4448899 | 212188 | 40 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 | nan | ||||
21509921 | 103979 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 103979 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
21509921 | 103979 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104091 | 103979 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
44304270 | 199563 | 0 | None | -512 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 442 | 11 | 0 | 5 | 5.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL60383 | 199563 | 0 | None | -512 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 442 | 11 | 0 | 5 | 5.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
130442480 | 174698 | 0 | None | -100 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
CHEMBL4572614 | 174698 | 0 | None | -100 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
1210 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
1213 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
2725 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
33036 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
4411 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
616 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
6976 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
716121 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
90475904 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1201353 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL1554789 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
CHEMBL505 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB01114 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
DB13679 | 905 | 45 | None | -281 | 20 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
155539605 | 172276 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
CHEMBL4514672 | 172276 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
44582705 | 186413 | 0 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
CHEMBL490632 | 186413 | 0 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
145973771 | 164167 | 0 | None | 2 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
CHEMBL4217398 | 164167 | 0 | None | 2 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
44335412 | 106973 | 0 | None | -102 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL318320 | 106973 | 0 | None | -102 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304284 | 162728 | 0 | None | -208 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL418691 | 162728 | 0 | None | -208 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
44304978 | 167326 | 0 | None | -3890 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 11 | 0 | 5 | 2.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL431172 | 167326 | 0 | None | -3890 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 11 | 0 | 5 | 2.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304752 | 201521 | 0 | None | -39810 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 459 | 9 | 1 | 6 | 3.1 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL64406 | 201521 | 0 | None | -39810 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 459 | 9 | 1 | 6 | 3.1 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
11496610 | 4012 | 11 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
5582 | 4012 | 11 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
CHEMBL474991 | 4012 | 11 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
73355421 | 92120 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.0 | CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
CHEMBL2432062 | 92120 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.0 | CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
164620139 | 185206 | 0 | None | 56 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
CHEMBL4866734 | 185206 | 0 | None | 56 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
11846300 | 79856 | 3 | None | -1071 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
CHEMBL213912 | 79856 | 3 | None | -1071 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
137646281 | 157264 | 0 | None | -1995 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
CHEMBL4083252 | 157264 | 0 | None | -1995 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
657255 | 197406 | 29 | None | -3 | 15 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
CHEMBL588119 | 197406 | 29 | None | -3 | 15 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
44304439 | 102325 | 0 | None | -891 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL305338 | 102325 | 0 | None | -891 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
44304332 | 199659 | 0 | None | -19054 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 399 | 9 | 1 | 5 | 2.3 | O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL60435 | 199659 | 0 | None | -19054 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 399 | 9 | 1 | 5 | 2.3 | O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44304719 | 201034 | 0 | None | -19498 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 425 | 10 | 2 | 6 | 1.5 | N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL61792 | 201034 | 0 | None | -19498 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 425 | 10 | 2 | 6 | 1.5 | N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
44334038 | 4396 | 0 | None | -316 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
CHEMBL101748 | 4396 | 0 | None | -316 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
10472082 | 5072 | 0 | None | -13489 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105762 | 5072 | 0 | None | -13489 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
44335558 | 109581 | 0 | None | -933 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL323562 | 109581 | 0 | None | -933 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
56963799 | 74546 | 0 | None | -2290 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
CHEMBL2031737 | 74546 | 0 | None | -2290 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
1016 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2561 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
2733526 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
5384 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
CHEMBL83 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
DB00675 | 3690 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
73213196 | 103981 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 103981 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
100 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
2637 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
5452 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
CHEMBL479 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
DB00679 | 3745 | 52 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
73213196 | 103981 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
CHEMBL3104093 | 103981 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
162657344 | 180350 | 0 | None | -1096 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
CHEMBL4758080 | 180350 | 0 | None | -1096 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
71459604 | 83379 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205811 | 83379 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL5088914 | 213786 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
CHEMBL5095949 | 213786 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
44304223 | 198705 | 0 | None | -1023 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 12 | 0 | 4 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
CHEMBL59798 | 198705 | 0 | None | -1023 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 12 | 0 | 4 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
133 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
1723 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
28693 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
CHEMBL19215 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
DB13520 | 2460 | 48 | None | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
44335172 | 5028 | 0 | None | -467 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
CHEMBL105567 | 5028 | 0 | None | -467 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
44304311 | 198609 | 0 | None | -16982 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 442 | 10 | 1 | 7 | 2.2 | N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
CHEMBL59733 | 198609 | 0 | None | -16982 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 442 | 10 | 1 | 7 | 2.2 | N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
71450548 | 83386 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
CHEMBL2205824 | 83386 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
127049855 | 139698 | 0 | None | -16 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
CHEMBL3805220 | 139698 | 0 | None | -16 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
132060763 | 162311 | 0 | None | -3 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
CHEMBL4173095 | 162311 | 0 | None | -3 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
135 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
1796 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
4184 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
CHEMBL6437 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
DB06148 | 2496 | 38 | None | -39 | 57 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
2281 | 3126 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
4922 | 3126 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
893 | 3126 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
CHEMBL316561 | 3126 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
DB13431 | 3126 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
645 | 924 | 112 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
1234 | 3239 | 0 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
3001055 | 3239 | 0 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
CHEMBL512 | 3239 | 0 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
DB00863 | 3239 | 0 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
3033637 | 215992 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 331 | 10 | 2 | 8 | 1.3 | CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O | None | ||
5105 | 176253 | 49 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | None | ||
CHEMBL46102 | 176253 | 49 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | None | ||
1129 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
3325 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
5353622 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
5702160 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
7074 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
CHEMBL902 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
DB00927 | 1591 | 89 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
1235 | 3763 | 32 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
3959 | 3763 | 32 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
50287 | 3763 | 32 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
CHEMBL269646 | 3763 | 32 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
46222048 | 8896 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | ||
CHEMBL1098230 | 8896 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | ||
179 | 396 | 107 | 3H-TIOTIDINE | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
2159 | 396 | 107 | 3H-TIOTIDINE | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
963 | 396 | 107 | 3H-TIOTIDINE | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
CHEMBL243712 | 396 | 107 | 3H-TIOTIDINE | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
DB06288 | 396 | 107 | 3H-TIOTIDINE | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
242 | 467 | 117 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
34 | 467 | 117 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
60795 | 467 | 117 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
CHEMBL1112 | 467 | 117 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
DB01238 | 467 | 117 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
1231 | 924 | 112 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
2756 | 924 | 112 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
645 | 924 | 112 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
CHEMBL30 | 924 | 112 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
DB00501 | 924 | 112 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
1204 | 1901 | 114 | 3H-TIOTIDINE | -173 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-TIOTIDINE | -173 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-TIOTIDINE | -173 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-TIOTIDINE | -173 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-TIOTIDINE | -173 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-TIOTIDINE | -173 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
134 | 2478 | 19 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
1775 | 2478 | 19 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
9681 | 2478 | 19 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
CHEMBL1065 | 2478 | 19 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
DB00247 | 2478 | 19 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
15897 | 2817 | 0 | 3H-TIOTIDINE | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
215 | 2817 | 0 | 3H-TIOTIDINE | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
CHEMBL1979333 | 2817 | 0 | 3H-TIOTIDINE | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
2337 | 3205 | 72 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
50 | 3205 | 72 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
5002 | 3205 | 72 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
CHEMBL716 | 3205 | 72 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
DB01224 | 3205 | 72 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
1234 | 3239 | 0 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
3001055 | 3239 | 0 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
CHEMBL512 | 3239 | 0 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
DB00863 | 3239 | 0 | 3H-Histamine | -2 | 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 | ||
6917970 | 3635 | 54 | 3H-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
8370 | 3635 | 54 | 3H-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
CHEMBL487387 | 3635 | 54 | 3H-TIOTIDINE | -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 | ||
1267 | 3744 | 43 | 3H-TIOTIDINE | -4168 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
3035905 | 3744 | 43 | 3H-TIOTIDINE | -4168 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
CHEMBL260374 | 3744 | 43 | 3H-TIOTIDINE | -4168 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
1235 | 3763 | 32 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
3959 | 3763 | 32 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
50287 | 3763 | 32 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
CHEMBL269646 | 3763 | 32 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
2662 | 11279 | 124 | 3H-TIOTIDINE | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
CHEMBL118 | 11279 | 124 | 3H-TIOTIDINE | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
10297 | 26905 | 29 | 3H-TIOTIDINE | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
CHEMBL136560 | 26905 | 29 | 3H-TIOTIDINE | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
156391 | 46537 | 95 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL1200806 | 46537 | 95 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
CHEMBL154 | 46537 | 95 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
10624 | 69957 | 17 | 3H-TIOTIDINE | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
138543650 | 69957 | 17 | 3H-TIOTIDINE | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
CHEMBL194378 | 69957 | 17 | 3H-TIOTIDINE | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
2244 | 93798 | 96 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
CHEMBL25 | 93798 | 96 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
446220 | 132998 | 13 | 3H-TIOTIDINE | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
CHEMBL370805 | 132998 | 13 | 3H-TIOTIDINE | -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 | ||
44208932 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
CHEMBL381689 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
1615 | 167228 | 22 | 3H-PYRILAMINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
1615 | 167228 | 22 | 3H-TIOTIDINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167228 | 22 | 3H-PYRILAMINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
CHEMBL43048 | 167228 | 22 | 3H-TIOTIDINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
54676228 | 192874 | 108 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
CHEMBL527 | 192874 | 108 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
4495 | 194860 | 87 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
CHEMBL56367 | 194860 | 87 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
54677470 | 198867 | 110 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
CHEMBL1256873 | 198867 | 110 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
CHEMBL599 | 198867 | 110 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
162265 | 200587 | 19 | 3H-TIOTIDINE | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
4786 | 200587 | 19 | 3H-TIOTIDINE | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
CHEMBL61006 | 200587 | 19 | 3H-TIOTIDINE | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
1973 | 201790 | 12 | 3H-APT | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
CHEMBL1394464 | 201790 | 12 | 3H-APT | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
CHEMBL66089 | 201790 | 12 | 3H-APT | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
4054 | 203790 | 64 | 3H-TIOTIDINE | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL1699 | 203790 | 64 | 3H-TIOTIDINE | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
CHEMBL807 | 203790 | 64 | 3H-TIOTIDINE | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
11954224 | 214174 | 0 | 3H-TIOTIDINE | -141253 | 59 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
None | 214217 | 0 | I125- Tiotodine | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
104911 | 214249 | 0 | 3H-TIOTIDINE | -41686 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
25137849 | 214425 | 0 | 3H-TIOTIDINE | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
71290 | 214425 | 0 | 3H-TIOTIDINE | -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 | ||
3337 | 214441 | 0 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
65801 | 214441 | 0 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
66264 | 214441 | 0 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
91452 | 214441 | 0 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
3821 | 214549 | 0 | 3H-TIOTIDINE | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(CCCCC1=O)C2=CC=CC=C2Cl | None | ||
None | 214560 | 0 | 3H-TIOTIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
None | 214561 | 0 | 3H-TIOTIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
None | 214562 | 0 | 3H-TIOTIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
None | 214563 | 0 | 3H-TIOTIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
None | 214564 | 0 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
None | 214565 | 0 | 3H-TIOTIDINE | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
None | 214566 | 0 | 3H-TIOTIDINE | -1 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
None | 214574 | 0 | 3H-TIOTIDINE | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
1576 | 214575 | 0 | 3H-TIOTIDINE | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
135269 | 214639 | 0 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
23681059 | 214640 | 0 | 3H-TIOTIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
5018304 | 214641 | 0 | 3H-TIOTIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
3672 | 214642 | 0 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | None | ||
84003 | 214643 | 0 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
123619 | 214644 | 0 | 3H-TIOTIDINE | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
119828 | 214645 | 0 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
5090 | 214646 | 0 | 3H-TIOTIDINE | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
119607 | 214647 | 0 | 3H-TIOTIDINE | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
None | 214648 | 0 | 3H-TIOTIDINE | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
None | 214703 | 0 | Functional | -660 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
None | 214703 | 0 | UNDEFINED | -660 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
None | 214747 | 0 | 3H-TIOTIDINE | -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 | ||
None | 214752 | 0 | 125I-aminopotentidine | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
None | 215341 | 0 | UNDEFINED | -3467 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 463 | 4 | 1 | 4 | 3.7 | C1C(C(=NN1C(=NS(=O)(=O)C2=CC=C(C=C2)C#N)N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 | None | ||
1353 | 1880 | 85 | 3H-TIOTIDINE | -131 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | 3H-TIOTIDINE | -131 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | 3H-TIOTIDINE | -131 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | 3H-TIOTIDINE | -131 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | 3H-TIOTIDINE | -131 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
2389 | 3279 | 114 | 3H-TIOTIDINE | -275 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | 3H-TIOTIDINE | -275 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | 3H-TIOTIDINE | -275 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | 3H-TIOTIDINE | -275 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | 3H-TIOTIDINE | -275 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
115237 | 55296 | 113 | 3H-TIOTIDINE | -22 | 54 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55296 | 113 | 3H-TIOTIDINE | -22 | 54 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
100 | 3745 | 52 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
1204 | 1901 | 114 | 3H-Histamine | -173 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-Histamine | -173 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-Histamine | -173 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-Histamine | -173 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-Histamine | -173 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-Histamine | -173 | 23 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1235 | 3763 | 32 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
3959 | 3763 | 32 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
50287 | 3763 | 32 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
CHEMBL269646 | 3763 | 32 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
135398737 | 944 | 89 | 3H-TIOTIDINE | -64 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | 3H-TIOTIDINE | -64 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | 3H-TIOTIDINE | -64 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | 3H-TIOTIDINE | -64 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | 3H-TIOTIDINE | -64 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
1204 | 1901 | 114 | 3H-TIOTIDINE | -316 | 23 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 3H-TIOTIDINE | -316 | 23 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 3H-TIOTIDINE | -316 | 23 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 3H-TIOTIDINE | -316 | 23 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 3H-TIOTIDINE | -316 | 23 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 3H-TIOTIDINE | -316 | 23 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
2726 | 906 | 64 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
46780481 | 107045 | 18 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
9903970 | 107045 | 18 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3187365 | 107045 | 18 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
CHEMBL3544974 | 107045 | 18 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
1613 | 2316 | 44 | 3H-TIOTIDINE | -8 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | 3H-TIOTIDINE | -8 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | 3H-TIOTIDINE | -8 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | 3H-TIOTIDINE | -8 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | 3H-TIOTIDINE | -8 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
21830793 | 91403 | 5 | 3H-8-OH-DPAT | -14125 | 46 | Bovine | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
CHEMBL2413154 | 91403 | 5 | 3H-8-OH-DPAT | -14125 | 46 | Bovine | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
1226 | 1988 | 16 | 3H-Histamine | -7 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
41376 | 1988 | 16 | 3H-Histamine | -7 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
CHEMBL12608 | 1988 | 16 | 3H-Histamine | -7 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
1248 | 1396 | 27 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
3077 | 1396 | 27 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
90045 | 1396 | 27 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
CHEMBL12344 | 1396 | 27 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
119570 | 3110 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3110 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3110 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3110 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3110 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
1248 | 1396 | 27 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
3077 | 1396 | 27 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
90045 | 1396 | 27 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
CHEMBL12344 | 1396 | 27 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
213 | 3792 | 50 | 3H-TIOTIDINE | -7 | 43 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | 3H-TIOTIDINE | -7 | 43 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | 3H-TIOTIDINE | -7 | 43 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | 3H-TIOTIDINE | -7 | 43 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | 3H-TIOTIDINE | -7 | 43 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
135409468 | 2004 | 63 | 3H-TIOTIDINE | -123 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
333 | 2004 | 63 | 3H-TIOTIDINE | -123 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
CHEMBL845 | 2004 | 63 | 3H-TIOTIDINE | -123 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
2865 | 4079 | 67 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
3032915 | 15321 | 20 | 3H-Histamine | -25 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
CHEMBL12160 | 15321 | 20 | 3H-Histamine | -25 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
3032915 | 15321 | 20 | 125I-iodoaminopotentidine | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
CHEMBL12160 | 15321 | 20 | 125I-iodoaminopotentidine | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
1204 | 1901 | 114 | None | -173 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | None | -173 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | None | -173 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | None | -173 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | None | -173 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | None | -173 | 23 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
18609376 | 202656 | 61 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | ||
6279 | 202656 | 61 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | ||
CHEMBL717 | 202656 | 61 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | ||
3823 | 49951 | 38 | None | -66 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
76973198 | 49951 | 38 | None | -66 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
CHEMBL157101 | 49951 | 38 | None | -66 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
104903 | 56050 | 14 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
CHEMBL1630578 | 56050 | 14 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
5048 | 3084 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
8924 | 3084 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
9948102 | 3084 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
CHEMBL462605 | 3084 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
DB11642 | 3084 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
176 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2157 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2566 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
CHEMBL633 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
DB01118 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
11954259 | 214201 | 0 | 3H-TIOTIDINE | -1348 | 43 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
135398745 | 2869 | 108 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
1016 | 3690 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2561 | 3690 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
2733526 | 3690 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
5384 | 3690 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
CHEMBL83 | 3690 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
DB00675 | 3690 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
1210 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
1213 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
2725 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
33036 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4411 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
616 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
6976 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
716121 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
90475904 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1201353 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL1554789 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
CHEMBL505 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB01114 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
DB13679 | 905 | 45 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
4601 | 205020 | 29 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
CHEMBL1201023 | 205020 | 29 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
CHEMBL900 | 205020 | 29 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
4189 | 205195 | 91 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL1559 | 205195 | 91 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
CHEMBL91 | 205195 | 91 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
2812 | 4711 | 96 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
CHEMBL104 | 4711 | 96 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
1530 | 2151 | 44 | None | -151 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
3827 | 2151 | 44 | None | -151 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
7206 | 2151 | 44 | None | -151 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
CHEMBL534 | 2151 | 44 | None | -151 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
DB00920 | 2151 | 44 | None | -151 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
237 | 203157 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL546257 | 203157 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL554190 | 203157 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
CHEMBL7568 | 203157 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
2865 | 4079 | 67 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
59 | 4079 | 67 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
60854 | 4079 | 67 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
CHEMBL708 | 4079 | 67 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
DB00246 | 4079 | 67 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
213 | 3792 | 50 | None | -7 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
2717 | 3792 | 50 | None | -7 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
5533 | 3792 | 50 | None | -7 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
CHEMBL621 | 3792 | 50 | None | -7 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
DB00656 | 3792 | 50 | None | -7 | 43 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
1599 | 2309 | 47 | None | -154 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
3955 | 2309 | 47 | None | -154 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
7215 | 2309 | 47 | None | -154 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
CHEMBL841 | 2309 | 47 | None | -154 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
DB00836 | 2309 | 47 | None | -154 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
3191 | 102385 | 93 | None | -24 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
CHEMBL305660 | 102385 | 93 | None | -24 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
2284 | 3133 | 27 | None | -53 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
4926 | 3133 | 27 | None | -53 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
7281 | 3133 | 27 | None | -53 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
CHEMBL564 | 3133 | 27 | None | -53 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
DB00420 | 3133 | 27 | None | -53 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
2520 | 202310 | 65 | None | -20 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
CHEMBL1280 | 202310 | 65 | None | -20 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
CHEMBL6966 | 202310 | 65 | None | -20 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
4543 | 169982 | 36 | None | -15 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL1201156 | 169982 | 36 | None | -15 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
CHEMBL445 | 169982 | 36 | None | -15 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
2801 | 161325 | 56 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL1200710 | 161325 | 56 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
CHEMBL415 | 161325 | 56 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
5291 | 205704 | 115 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | None | ||
CHEMBL941 | 205704 | 115 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | None | ||
1225 | 1443 | 24 | None | -20 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
3958 | 1443 | 24 | None | -20 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
667477 | 1443 | 24 | None | -20 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
CHEMBL860 | 1443 | 24 | None | -20 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
DB01142 | 1443 | 24 | None | -20 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
2247 | 502 | 77 | None | -56 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
249 | 502 | 77 | None | -56 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
2603 | 502 | 77 | None | -56 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
CHEMBL296419 | 502 | 77 | None | -56 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
DB00637 | 502 | 77 | None | -56 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
3042 | 1386 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
355 | 1386 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
868 | 1386 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
CHEMBL1123 | 1386 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
DB00804 | 1386 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
3198 | 203802 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL1201049 | 203802 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
CHEMBL808 | 203802 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
57469 | 18678 | 120 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | ||
CHEMBL1282 | 18678 | 120 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | ||
1231 | 924 | 112 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
2756 | 924 | 112 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
645 | 924 | 112 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
CHEMBL30 | 924 | 112 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
DB00501 | 924 | 112 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
1201549 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
333 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
7601 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL1201203 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
CHEMBL438151 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
DB00245 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
2286 | 3134 | 48 | None | -26 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
4927 | 3134 | 48 | None | -26 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
7282 | 3134 | 48 | None | -26 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
CHEMBL643 | 3134 | 48 | None | -26 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
DB01069 | 3134 | 48 | None | -26 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
11057 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
3468 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
CHEMBL459265 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
CHEMBL64894 | 175575 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
124087 | 1362 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
7157 | 1362 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
814 | 1362 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
CHEMBL1172 | 1362 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
DB00967 | 1362 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
1588 | 2294 | 24 | None | -323 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
28864 | 2294 | 24 | None | -323 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
43 | 2294 | 24 | None | -323 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
CHEMBL157138 | 2294 | 24 | None | -323 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
DB00589 | 2294 | 24 | None | -323 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
103 | 4089 | 56 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
1226 | 1988 | 16 | 125I-iodoaminopotentidine | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
41376 | 1988 | 16 | 125I-iodoaminopotentidine | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
CHEMBL12608 | 1988 | 16 | 125I-iodoaminopotentidine | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
1204 | 1901 | 114 | 125I-iodoaminopotentidine | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1247 | 1901 | 114 | 125I-iodoaminopotentidine | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1375 | 1901 | 114 | 125I-iodoaminopotentidine | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
774 | 1901 | 114 | 125I-iodoaminopotentidine | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
CHEMBL90 | 1901 | 114 | 125I-iodoaminopotentidine | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
DB05381 | 1901 | 114 | 125I-iodoaminopotentidine | -173 | 23 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
1212 | 1632 | 45 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
1223 | 940 | 32 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
2790 | 940 | 32 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
CHEMBL14690 | 940 | 32 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
135 | 2496 | 38 | None | -39 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
1796 | 2496 | 38 | None | -39 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
4184 | 2496 | 38 | None | -39 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
CHEMBL6437 | 2496 | 38 | None | -39 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
DB06148 | 2496 | 38 | None | -39 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
33630 | 178379 | 94 | None | -13 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
CHEMBL47050 | 178379 | 94 | None | -13 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
1353 | 1880 | 85 | None | -131 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
3559 | 1880 | 85 | None | -131 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
86 | 1880 | 85 | None | -131 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
CHEMBL54 | 1880 | 85 | None | -131 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
DB00502 | 1880 | 85 | None | -131 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
133 | 2460 | 48 | None | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1723 | 2460 | 48 | None | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
28693 | 2460 | 48 | None | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
CHEMBL19215 | 2460 | 48 | None | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
DB13520 | 2460 | 48 | None | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
1234 | 3239 | 0 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
3001055 | 3239 | 0 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
CHEMBL512 | 3239 | 0 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
DB00863 | 3239 | 0 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
1212 | 1632 | 45 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
204 | 1632 | 45 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3372 | 1632 | 45 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
CHEMBL726 | 1632 | 45 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
DB00623 | 1632 | 45 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
3389 | 215982 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
103 | 4089 | 56 | None | -46 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
2875 | 4089 | 56 | None | -46 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
5736 | 4089 | 56 | None | -46 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL285802 | 4089 | 56 | None | -46 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB09225 | 4089 | 56 | None | -46 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
212 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
2639 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
941651 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
CHEMBL1201 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
DB01623 | 3746 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
4011 | 81996 | 43 | None | -27 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
CHEMBL21731 | 81996 | 43 | None | -27 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
26987 | 936 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
6063 | 936 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
671 | 936 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
CHEMBL1626 | 936 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
DB00283 | 936 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
1613 | 2316 | 44 | None | -8 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
205 | 2316 | 44 | None | -8 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
3964 | 2316 | 44 | None | -8 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
CHEMBL831 | 2316 | 44 | None | -8 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
DB00408 | 2316 | 44 | None | -8 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
277 | 1274 | 55 | None | -43 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
2913 | 1274 | 55 | None | -43 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
765 | 1274 | 55 | None | -43 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
CHEMBL516 | 1274 | 55 | None | -43 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
DB00434 | 1274 | 55 | None | -43 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
4806 | 3945 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
7351 | 3945 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
9966051 | 3945 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
CHEMBL2104993 | 3945 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
DB09068 | 3945 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
2726 | 906 | 64 | None | -85 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
621 | 906 | 64 | None | -85 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
83 | 906 | 64 | None | -85 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
CHEMBL71 | 906 | 64 | None | -85 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
DB00477 | 906 | 64 | None | -85 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
135398737 | 944 | 89 | None | -64 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
38 | 944 | 89 | None | -64 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
722 | 944 | 89 | None | -64 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
CHEMBL42 | 944 | 89 | None | -64 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
DB00363 | 944 | 89 | None | -64 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
100 | 3745 | 52 | None | -46 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2637 | 3745 | 52 | None | -46 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
5452 | 3745 | 52 | None | -46 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
CHEMBL479 | 3745 | 52 | None | -46 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
DB00679 | 3745 | 52 | None | -46 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
2389 | 3279 | 114 | None | -275 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
5073 | 3279 | 114 | None | -275 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
96 | 3279 | 114 | None | -275 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
CHEMBL85 | 3279 | 114 | None | -275 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
DB00734 | 3279 | 114 | None | -275 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
115237 | 55296 | 113 | None | -22 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
CHEMBL1621 | 55296 | 113 | None | -22 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
1231 | 924 | 112 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
2756 | 924 | 112 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
645 | 924 | 112 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
CHEMBL30 | 924 | 112 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
DB00501 | 924 | 112 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
657255 | 197406 | 29 | None | -3 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
CHEMBL588119 | 197406 | 29 | None | -3 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
135398745 | 2869 | 108 | None | -9 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
47 | 2869 | 108 | None | -9 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
CHEMBL715 | 2869 | 108 | None | -9 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
DB00334 | 2869 | 108 | None | -9 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
1234 | 3239 | 0 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
3001055 | 3239 | 0 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
CHEMBL512 | 3239 | 0 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
DB00863 | 3239 | 0 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
5048 | 3084 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
8924 | 3084 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
9948102 | 3084 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
CHEMBL462605 | 3084 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
DB11642 | 3084 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
1231 | 924 | 112 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
2756 | 924 | 112 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
645 | 924 | 112 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
CHEMBL30 | 924 | 112 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
DB00501 | 924 | 112 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
1234 | 3239 | 0 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
3001055 | 3239 | 0 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
CHEMBL512 | 3239 | 0 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
DB00863 | 3239 | 0 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
1231 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
2756 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
645 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
CHEMBL30 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
DB00501 | 924 | 112 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
1234 | 3239 | 0 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
3001055 | 3239 | 0 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
CHEMBL512 | 3239 | 0 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
DB00863 | 3239 | 0 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
1235 | 3763 | 32 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
3959 | 3763 | 32 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
50287 | 3763 | 32 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
CHEMBL269646 | 3763 | 32 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
1265 | 929 | 54 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
6422124 | 929 | 54 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
CHEMBL14638 | 929 | 54 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
441082 | 1140 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 26084539 | ||
8981 | 1140 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 26084539 | ||
CHEMBL191703 | 1140 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 26084539 | ||
11697697 | 2510 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
7346 | 2510 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
CHEMBL476323 | 2510 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
DB11910 | 2510 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
117072554 | 1992 | 0 | None | -1000 | 4 | Human | 5.3 | pKi | > | 5.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | ||
8982 | 1992 | 0 | None | -1000 | 4 | Human | 5.3 | pKi | > | 5.3 | 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 | ||
24994634 | 2111 | 26 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
8984 | 2111 | 26 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
CHEMBL3236549 | 2111 | 26 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
45257132 | 3626 | 3 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
8983 | 3626 | 3 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
CHEMBL595180 | 3626 | 3 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
119570 | 3110 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
2233 | 3110 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
953 | 3110 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
CHEMBL301265 | 3110 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
DB00413 | 3110 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
1204 | 1901 | 114 | None | -316 | 23 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
1247 | 1901 | 114 | None | -316 | 23 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
1375 | 1901 | 114 | None | -316 | 23 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
774 | 1901 | 114 | None | -316 | 23 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
CHEMBL90 | 1901 | 114 | None | -316 | 23 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
DB05381 | 1901 | 114 | None | -316 | 23 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
1218 | 227 | 47 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | ||
9818903 | 227 | 47 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | ||
CHEMBL351231 | 227 | 47 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | ||
1223 | 940 | 32 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
2790 | 940 | 32 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
CHEMBL14690 | 940 | 32 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
1229 | 732 | 0 | None | -63 | 6 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 8692899 | ||
5311293 | 732 | 0 | None | -63 | 6 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 8692899 | ||
1233 | 2479 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
1548992 | 2479 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
CHEMBL275446 | 2479 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
DB08805 | 2479 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
1200 | 3900 | 1 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | ||
25149519 | 3900 | 1 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | ||
CHEMBL513056 | 3900 | 1 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | ||
1199 | 2928 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
25149244 | 2928 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
CHEMBL472273 | 2928 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
1221 | 472 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
65895 | 472 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
CHEMBL293802 | 472 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
1226 | 1988 | 16 | None | -7 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | ||
41376 | 1988 | 16 | None | -7 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | ||
CHEMBL12608 | 1988 | 16 | None | -7 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | ||
1232 | 2025 | 6 | None | - | 1 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | ||
181461 | 2025 | 6 | None | - | 1 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | ||
CHEMBL72193 | 2025 | 6 | None | - | 1 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 |