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 |
| 44627488 | 14043 | 0 | None | 2187 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 418 | 6 | 6 | 9 | -1.1 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1198696 | 14043 | 0 | None | 2187 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 418 | 6 | 6 | 9 | -1.1 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL611791 | 14043 | 0 | None | 2187 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 418 | 6 | 6 | 9 | -1.1 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1021/jm901432g | ||
| 16082712 | 89 | 1 | None | 8 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 10.1021/jm901432g | ||
| 6202 | 89 | 1 | None | 8 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 10.1021/jm901432g | ||
| CHEMBL216011 | 89 | 1 | None | 8 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 10.1021/jm901432g | ||
| 1748 | 2610 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| 44585949 | 2610 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| CHEMBL507060 | 2610 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| 44627599 | 14044 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 472 | 9 | 5 | 11 | -0.2 | C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1198697 | 14044 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 472 | 9 | 5 | 11 | -0.2 | C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL611792 | 14044 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 472 | 9 | 5 | 11 | -0.2 | C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 16220889 | 136416 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O | 10.1021/jm901432g | ||
| CHEMBL374384 | 136416 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O | 10.1021/jm901432g | ||
| 1748 | 2610 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| 44585949 | 2610 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| CHEMBL507060 | 2610 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| 46890713 | 14083 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 528 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I | 10.1021/jm100287t | ||
| CHEMBL1085561 | 14083 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 528 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I | 10.1021/jm100287t | ||
| CHEMBL1198914 | 14083 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 528 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I | 10.1021/jm100287t | ||
| CHEMBL4851033 | 14083 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 528 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I | 10.1021/jm100287t | ||
| 45485237 | 195321 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 564 | 6 | 6 | 9 | -1.3 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]2O)cc1I | 10.1021/jm901432g | ||
| CHEMBL566925 | 195321 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 564 | 6 | 6 | 9 | -1.3 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]2O)cc1I | 10.1021/jm901432g | ||
| 44627802 | 14054 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 525 | 9 | 5 | 13 | -0.6 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1198725 | 14054 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 525 | 9 | 5 | 13 | -0.6 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL612119 | 14054 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 525 | 9 | 5 | 13 | -0.6 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 146015339 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| 1749 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| 6031 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| CHEMBL130266 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| DB03435 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm901432g | ||
| 146015339 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| 1749 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| 6031 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| CHEMBL130266 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| DB03435 | 3847 | 30 | None | -1 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm100287t | ||
| 44627690 | 14151 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 478 | 10 | 7 | 13 | -3.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1162560 | 14151 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 478 | 10 | 7 | 13 | -3.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1199753 | 14151 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 478 | 10 | 7 | 13 | -3.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 44627692 | 14053 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 478 | 10 | 7 | 13 | -3.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC(CO)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1198717 | 14053 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 478 | 10 | 7 | 13 | -3.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC(CO)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL612065 | 14053 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 478 | 10 | 7 | 13 | -3.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC(CO)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 44627804 | 14222 | 0 | None | 4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 514 | 8 | 5 | 11 | 0.1 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3cccc(Cl)c3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1162561 | 14222 | 0 | None | 4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 514 | 8 | 5 | 11 | 0.1 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3cccc(Cl)c3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1200114 | 14222 | 0 | None | 4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 514 | 8 | 5 | 11 | 0.1 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3cccc(Cl)c3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 16221095 | 143303 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 566 | 8 | 10 | 16 | -5.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm061222w | ||
| CHEMBL390160 | 143303 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 566 | 8 | 10 | 16 | -5.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm061222w | ||
| 46226448 | 198018 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 566 | 8 | 10 | 16 | -5.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL593346 | 198018 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 566 | 8 | 10 | 16 | -5.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 44627806 | 14152 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 9 | 5 | 12 | -0.5 | COc1ccc(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1 | 10.1021/jm901432g | ||
| CHEMBL1162562 | 14152 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 9 | 5 | 12 | -0.5 | COc1ccc(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1 | 10.1021/jm901432g | ||
| CHEMBL1199754 | 14152 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 9 | 5 | 12 | -0.5 | COc1ccc(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1 | 10.1021/jm901432g | ||
| 46226460 | 198335 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 536 | 9 | 8 | 15 | -4.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL595467 | 198335 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 536 | 9 | 8 | 15 | -4.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 448923 | 198079 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL593830 | 198079 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 44627694 | 14136 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 460 | 7 | 5 | 11 | -0.8 | CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162552 | 14136 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 460 | 7 | 5 | 11 | -0.8 | CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1199701 | 14136 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 460 | 7 | 5 | 11 | -0.8 | CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 46226445 | 199878 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 622 | 11 | 10 | 17 | -5.7 | NCCNC(=O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL605512 | 199878 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 622 | 11 | 10 | 17 | -5.7 | NCCNC(=O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 1783 | 3850 | 18 | None | -13 | 7 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| 8629 | 3850 | 18 | None | -13 | 7 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL375951 | 3850 | 18 | None | -13 | 7 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| DB01861 | 3850 | 18 | None | -13 | 7 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| 25245106 | 14182 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 418 | 7 | 5 | 11 | -2.0 | COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162554 | 14182 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 418 | 7 | 5 | 11 | -2.0 | COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1199939 | 14182 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 418 | 7 | 5 | 11 | -2.0 | COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 16220889 | 136416 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL374384 | 136416 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 44627696 | 14143 | 0 | None | 64 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 5 | 11 | 0.6 | CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162556 | 14143 | 0 | None | 64 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 5 | 11 | 0.6 | CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1199732 | 14143 | 0 | None | 64 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 5 | 11 | 0.6 | CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 22838429 | 141042 | 1 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm901432g | ||
| CHEMBL384992 | 141042 | 1 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm901432g | ||
| 46226447 | 199712 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 10 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL604676 | 199712 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 10 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 45485253 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1084020 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1204010 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL4846821 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL585870 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 45485253 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm100287t | ||
| CHEMBL1084020 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm100287t | ||
| CHEMBL1204010 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm100287t | ||
| CHEMBL4846821 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm100287t | ||
| CHEMBL585870 | 197339 | 0 | None | -6 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 6 | 11 | -2.5 | CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm100287t | ||
| 1783 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm061222w | ||
| 8629 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm061222w | ||
| CHEMBL375951 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm061222w | ||
| DB01861 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm061222w | ||
| 16220889 | 136416 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O | 10.1021/jm061222w | ||
| CHEMBL374384 | 136416 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O | 10.1021/jm061222w | ||
| 1783 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmcl.2006.10.081 | ||
| 8629 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmcl.2006.10.081 | ||
| CHEMBL375951 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmcl.2006.10.081 | ||
| DB01861 | 3850 | 18 | None | -13 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1016/j.bmcl.2006.10.081 | ||
| 24858471 | 198113 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](F)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL594064 | 198113 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](F)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 17473 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm061222w | ||
| 1784 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm061222w | ||
| CHEMBL228057 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm061222w | ||
| DB03041 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1021/jm061222w | ||
| 44440209 | 10216 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O=C(O)[C@@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O | 10.1016/j.bmcl.2006.10.081 | ||
| CHEMBL1162071 | 10216 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O=C(O)[C@@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O | 10.1016/j.bmcl.2006.10.081 | ||
| 17473 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmc.2009.05.024 | ||
| 1784 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL228057 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmc.2009.05.024 | ||
| DB03041 | 3851 | 13 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmc.2009.05.024 | ||
| 46226454 | 198114 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL594065 | 198114 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 44627591 | 14156 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 8 | 5 | 11 | -0.2 | CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162563 | 14156 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 8 | 5 | 11 | -0.2 | CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1199783 | 14156 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 8 | 5 | 11 | -0.2 | CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 44627593 | 14137 | 0 | None | 229 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 462 | 9 | 5 | 11 | 0.2 | CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162553 | 14137 | 0 | None | 229 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 462 | 9 | 5 | 11 | 0.2 | CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1199702 | 14137 | 0 | None | 229 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 462 | 9 | 5 | 11 | 0.2 | CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 1783 | 3850 | 18 | None | -13 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm901432g | ||
| 8629 | 3850 | 18 | None | -13 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm901432g | ||
| CHEMBL375951 | 3850 | 18 | None | -13 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm901432g | ||
| DB01861 | 3850 | 18 | None | -13 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 10.1021/jm901432g | ||
| 44422899 | 141462 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 596 | 9 | 9 | 16 | -3.3 | O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=S)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1021/jm061222w | ||
| CHEMBL387520 | 141462 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 596 | 9 | 9 | 16 | -3.3 | O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=S)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1021/jm061222w | ||
| 44440213 | 10217 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1021/jm061222w | ||
| CHEMBL1162072 | 10217 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1021/jm061222w | ||
| 44440213 | 10217 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1016/j.bmcl.2006.10.081 | ||
| CHEMBL1162072 | 10217 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1016/j.bmcl.2006.10.081 | ||
| 44440213 | 10217 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL1162072 | 10217 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 44627486 | 14051 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 6 | 5 | 10 | -1.9 | CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1198715 | 14051 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 6 | 5 | 10 | -1.9 | CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL612063 | 14051 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 6 | 5 | 10 | -1.9 | CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 46226477 | 198084 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 536 | 9 | 8 | 15 | -4.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL593842 | 198084 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 536 | 9 | 8 | 15 | -4.2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 44627597 | 14052 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 456 | 9 | 5 | 11 | -1.6 | C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1198716 | 14052 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 456 | 9 | 5 | 11 | -1.6 | C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL612064 | 14052 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 456 | 9 | 5 | 11 | -1.6 | C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 44422870 | 85137 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1021/jm061222w | ||
| CHEMBL228111 | 85137 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1021/jm061222w | ||
| 44422870 | 85137 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL228111 | 85137 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 46226446 | 198272 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 664 | 12 | 10 | 17 | -5.5 | CC(=O)NCCNC(=O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL595076 | 198272 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 664 | 12 | 10 | 17 | -5.5 | CC(=O)NCCNC(=O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 44627698 | 14144 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 486 | 8 | 5 | 11 | -0.3 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1162558 | 14144 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 486 | 8 | 5 | 11 | -0.3 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1199733 | 14144 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 486 | 8 | 5 | 11 | -0.3 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 44627491 | 14195 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 434 | 7 | 5 | 11 | -0.6 | COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162557 | 14195 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 434 | 7 | 5 | 11 | -0.6 | COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1200008 | 14195 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 434 | 7 | 5 | 11 | -0.6 | COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 11146048 | 198395 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 550 | 8 | 8 | 15 | -3.8 | C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL595940 | 198395 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 550 | 8 | 8 | 15 | -3.8 | C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 448872 | 197991 | 3 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](F)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL593125 | 197991 | 3 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](F)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 46226441 | 198296 | 2 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL595216 | 198296 | 2 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 44585948 | 186059 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 6 | 6 | 9 | -1.9 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL488133 | 186059 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 6 | 6 | 9 | -1.9 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 46226456 | 198425 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL596145 | 198425 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 1782 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1021/jm061222w | ||
| 18068 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1021/jm061222w | ||
| CHEMBL439009 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1021/jm061222w | ||
| DB03501 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1021/jm061222w | ||
| 1782 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| 18068 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL439009 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| DB03501 | 3849 | 13 | None | -10 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10.1016/j.bmc.2009.05.024 | ||
| 54584734 | 59973 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 10 | 15 | -4.7 | O=c1cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[nH]c(=O)[nH]1 | 10.1016/j.bmcl.2006.10.081 | ||
| CHEMBL1743884 | 59973 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 566 | 9 | 10 | 15 | -4.7 | O=c1cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[nH]c(=O)[nH]1 | 10.1016/j.bmcl.2006.10.081 | ||
| 44627595 | 14138 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 457 | 9 | 5 | 12 | -1.7 | N#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1162555 | 14138 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 457 | 9 | 5 | 12 | -1.7 | N#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| CHEMBL1199703 | 14138 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 457 | 9 | 5 | 12 | -1.7 | N#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | 10.1021/jm901432g | ||
| 449409 | 14145 | 2 | None | 9 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 8 | 5 | 11 | -0.5 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1162559 | 14145 | 2 | None | 9 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 8 | 5 | 11 | -0.5 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| CHEMBL1199734 | 14145 | 2 | None | 9 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 8 | 5 | 11 | -0.5 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm901432g | ||
| 44440213 | 10217 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1021/jm061222w | ||
| CHEMBL1162072 | 10217 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1021/jm061222w | ||
| 44440213 | 10217 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL1162072 | 10217 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 607 | 10 | 9 | 16 | -4.7 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 16220801 | 85025 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 566 | 10 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@]3(O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm061222w | ||
| CHEMBL226713 | 85025 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 566 | 10 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@]3(O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm061222w | ||
| 16220801 | 85025 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 566 | 10 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@]3(O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL226713 | 85025 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 566 | 10 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@]3(O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 46226455 | 197992 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL593126 | 197992 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 568 | 9 | 8 | 15 | -3.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 448873 | 85097 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm061222w | ||
| CHEMBL227711 | 85097 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1021/jm061222w | ||
| 448873 | 85097 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL227711 | 85097 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 566 | 9 | 9 | 16 | -4.8 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | 10.1016/j.bmc.2009.05.024 | ||
| 46226463 | 198209 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 722 | 12 | 10 | 18 | -4.1 | CC(C)(C)OC(=O)NCCNC(=O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| CHEMBL594703 | 198209 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 722 | 12 | 10 | 18 | -4.1 | CC(C)(C)OC(=O)NCCNC(=O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2009.05.024 | ||
| 42611190 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.2c01632 | ||
| 5802 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL1800685 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.2c01632 | ||
| 42611190 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.6b00044 | ||
| 5802 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL1800685 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.6b00044 | ||
| 54584537 | 61340 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 475 | 4 | 1 | 6 | 4.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4cnc(C#N)nc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771459 | 61340 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 475 | 4 | 1 | 6 | 4.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4cnc(C#N)nc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 155512121 | 169047 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 3 | 3 | 5.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL4436879 | 169047 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 3 | 3 | 5.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| 155512121 | 169047 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 3 | 3 | 5.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL4436879 | 169047 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 3 | 3 | 5.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 | 10.1016/j.ejmech.2019.111564 | ||
| 154636989 | 191813 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 353 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5208130 | 191813 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 353 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 42611190 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2021.113313 | ||
| 5802 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL1800685 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2021.113313 | ||
| 42611190 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.2c01632 | ||
| 5802 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL1800685 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.2c01632 | ||
| 42611190 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2019.111564 | ||
| 5802 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL1800685 | 3095 | 7 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2019.111564 | ||
| 53234015 | 61337 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 492 | 4 | 1 | 5 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5c(c4)OCO5)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771456 | 61337 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 492 | 4 | 1 | 5 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5c(c4)OCO5)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526199 | 189361 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 4 | 1 | 3 | 5.7 | O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5170675 | 189361 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 4 | 1 | 3 | 5.7 | O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54584878 | 61713 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 382 | 5 | 1 | 2 | 6.4 | Cc1cccc(C)c1COc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774887 | 61713 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 382 | 5 | 1 | 2 | 6.4 | Cc1cccc(C)c1COc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 54583936 | 61716 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 6.3 | Cc1cccc(C)c1COc1ccc2c(OCc3ccccc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774890 | 61716 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 6.3 | Cc1cccc(C)c1COc1ccc2c(OCc3ccccc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 168276760 | 190024 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 353 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2F)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5181115 | 190024 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 353 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2F)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54583556 | 61321 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 465 | 5 | 2 | 5 | 4.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4CO)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771438 | 61321 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 465 | 5 | 2 | 5 | 4.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4CO)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 25157642 | 61339 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 450 | 4 | 1 | 5 | 5.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4cncnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771458 | 61339 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 450 | 4 | 1 | 5 | 5.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4cncnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526158 | 191231 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 358 | 5 | 1 | 4 | 4.7 | COc1ccccc1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5198913 | 191231 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 358 | 5 | 1 | 4 | 4.7 | COc1ccccc1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 153526164 | 189611 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 400 | 8 | 1 | 4 | 5.9 | CCCCOc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5174678 | 189611 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 400 | 8 | 1 | 4 | 5.9 | CCCCOc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 153526194 | 190238 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 6.2 | O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5184355 | 190238 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 6.2 | O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54584497 | 61281 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 447 | 4 | 1 | 4 | 5.7 | C=Cc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771240 | 61281 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 447 | 4 | 1 | 4 | 5.7 | C=Cc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54586408 | 61282 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 461 | 4 | 1 | 4 | 6.0 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C3CC3)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771241 | 61282 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 461 | 4 | 1 | 4 | 6.0 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C3CC3)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 54585444 | 61290 | 0 | None | - | 1 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 469 | 4 | 1 | 4 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4cccc(Cl)c4)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771249 | 61290 | 0 | None | - | 1 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 469 | 4 | 1 | 4 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4cccc(Cl)c4)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54583559 | 61336 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 499 | 4 | 1 | 4 | 6.8 | CCc1cccc(NC(=O)N2CCc3nc(-c4cnc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771455 | 61336 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 499 | 4 | 1 | 4 | 6.8 | CCc1cccc(NC(=O)N2CCc3nc(-c4cnc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54586809 | 61726 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 4 | 2 | 2 | 7.5 | O=C(O)c1cc(-c2ccc(C(O)C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774900 | 61726 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 4 | 2 | 2 | 7.5 | O=C(O)c1cc(-c2ccc(C(O)C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 153526172 | 189796 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 4 | 1 | 3 | 6.0 | O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5177634 | 189796 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 4 | 1 | 3 | 6.0 | O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54580588 | 61329 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 6.6 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771447 | 61329 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 6.6 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54584879 | 61721 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 6.5 | O=C(O)c1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c(-c2ccsc2)c1O | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774895 | 61721 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 6.5 | O=C(O)c1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c(-c2ccsc2)c1O | 10.1016/j.bmcl.2011.03.081 | ||
| 54580937 | 61715 | 0 | None | - | 1 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 306 | 4 | 1 | 2 | 4.7 | Cc1cccc(C)c1COc1ccc2ccc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774889 | 61715 | 0 | None | - | 1 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 306 | 4 | 1 | 2 | 4.7 | Cc1cccc(C)c1COc1ccc2ccc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 168283280 | 190629 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.7 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCCCC2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5189945 | 190629 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.7 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCCCC2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 42628974 | 61718 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 406 | 5 | 1 | 3 | 6.6 | Cc1cc(F)cc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774892 | 61718 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 406 | 5 | 1 | 3 | 6.6 | Cc1cc(F)cc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 154636992 | 189277 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 367 | 6 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5169372 | 189277 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 367 | 6 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54585479 | 61331 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 6.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C#N)c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771450 | 61331 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 6.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(C#N)c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 25157951 | 61326 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.7 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771444 | 61326 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.7 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 168282149 | 190218 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 403 | 5 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5183974 | 190218 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 403 | 5 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54584496 | 61279 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 6.1 | CCCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771239 | 61279 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 6.1 | CCCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54581597 | 61332 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 6.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C#N)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771451 | 61332 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 6.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C#N)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526195 | 190740 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.6 | O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5191737 | 190740 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.6 | O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54585443 | 61287 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 483 | 4 | 1 | 4 | 6.3 | CCc1cc(Cl)cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771246 | 61287 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 483 | 4 | 1 | 4 | 6.3 | CCc1cc(Cl)cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526157 | 190413 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 5.3 | COc1ccccc1CC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5186756 | 190413 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 5.3 | COc1ccccc1CC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 168271053 | 189334 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 335 | 5 | 2 | 4 | 3.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5170216 | 189334 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 335 | 5 | 2 | 4 | 3.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 153526204 | 190664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 356 | 4 | 1 | 3 | 5.3 | Cc1ccc(CC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5190464 | 190664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 356 | 4 | 1 | 3 | 5.3 | Cc1ccc(CC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 54584877 | 61712 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 422 | 5 | 1 | 2 | 7.1 | O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774886 | 61712 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 422 | 5 | 1 | 2 | 7.1 | O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 54583937 | 61724 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 6.4 | CS(=O)(=O)c1cscc1-c1cc(C(=O)O)cc2cc(-c3ccc(C(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774898 | 61724 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 6.4 | CS(=O)(=O)c1cscc1-c1cc(C(=O)O)cc2cc(-c3ccc(C(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2011.03.081 | ||
| 54583516 | 61277 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 435 | 3 | 1 | 4 | 5.4 | Cc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771237 | 61277 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 435 | 3 | 1 | 4 | 5.4 | Cc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 1341154 | 190393 | 10 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 358 | 5 | 1 | 4 | 4.7 | COc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5186555 | 190393 | 10 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 358 | 5 | 1 | 4 | 4.7 | COc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 164614593 | 184414 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 321 | 4 | 2 | 3 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccoc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL4854775 | 184414 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 321 | 4 | 2 | 3 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccoc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| 164611449 | 184651 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 321 | 4 | 3 | 3 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cc[nH]n3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL4858280 | 184651 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 321 | 4 | 3 | 3 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cc[nH]n3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| 164627664 | 185790 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 350 | 4 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3c(C)noc3C)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL4875670 | 185790 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 350 | 4 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3c(C)noc3C)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| 54585843 | 61725 | 0 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 470 | 4 | 1 | 3 | 6.3 | CS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774899 | 61725 | 0 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 470 | 4 | 1 | 3 | 6.3 | CS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1016/j.bmcl.2011.03.081 | ||
| 153526165 | 189819 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 342 | 4 | 1 | 3 | 5.0 | Cc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5177972 | 189819 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 342 | 4 | 1 | 3 | 5.0 | Cc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54582931 | 61714 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 382 | 5 | 1 | 2 | 6.4 | Cc1cccc(C)c1OCc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774888 | 61714 | 0 | None | - | 1 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 382 | 5 | 1 | 2 | 6.4 | Cc1cccc(C)c1OCc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 168279045 | 190579 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5189099 | 190579 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 153526161 | 190807 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 5.3 | COc1cccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5192666 | 190807 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 5.3 | COc1cccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 16911458 | 189988 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 358 | 5 | 1 | 4 | 4.7 | COc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5180500 | 189988 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 358 | 5 | 1 | 4 | 4.7 | COc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 168285041 | 190954 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2Cl)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5194765 | 190954 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2Cl)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54583558 | 61333 | 0 | None | - | 1 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 466 | 4 | 1 | 3 | 6.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771452 | 61333 | 0 | None | - | 1 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 466 | 4 | 1 | 3 | 6.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526196 | 189529 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 406 | 4 | 1 | 3 | 5.4 | O=C(Cc1cccc(Br)c1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5173454 | 189529 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 406 | 4 | 1 | 3 | 5.4 | O=C(Cc1cccc(Br)c1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54581994 | 61717 | 0 | None | - | 1 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 388 | 5 | 1 | 3 | 6.5 | Cc1cccc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774891 | 61717 | 0 | None | - | 1 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 388 | 5 | 1 | 3 | 6.5 | Cc1cccc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 153526190 | 190381 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 430 | 4 | 1 | 3 | 6.3 | O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5186266 | 190381 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 430 | 4 | 1 | 3 | 6.3 | O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54585477 | 61325 | 0 | None | - | 1 | Mouse | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 465 | 4 | 1 | 4 | 4.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc[n+]([O-])c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771442 | 61325 | 0 | None | - | 1 | Mouse | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 465 | 4 | 1 | 4 | 4.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc[n+]([O-])c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54583517 | 61285 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 4 | 1 | 4 | 6.1 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C(C)F)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771244 | 61285 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 4 | 1 | 4 | 6.1 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C(C)F)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 54585480 | 61338 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 474 | 4 | 1 | 5 | 5.5 | CCc1cccc(NC(=O)N2CCc3nc(-c4cnccc4C#N)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771457 | 61338 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 474 | 4 | 1 | 5 | 5.5 | CCc1cccc(NC(=O)N2CCc3nc(-c4cnccc4C#N)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 155564566 | 174909 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 401 | 5 | 3 | 4 | 4.2 | O=C(O)c1cc(NC(=O)c2ccncc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL4577585 | 174909 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 401 | 5 | 3 | 4 | 4.2 | O=C(O)c1cc(NC(=O)c2ccncc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| 168293389 | 191519 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 381 | 6 | 2 | 5 | 3.2 | CC(=O)c1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5203559 | 191519 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 381 | 6 | 2 | 5 | 3.2 | CC(=O)c1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 154636998 | 190961 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 403 | 5 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5194881 | 190961 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 403 | 5 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54586445 | 61334 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 466 | 4 | 1 | 3 | 6.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(F)c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771453 | 61334 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 466 | 4 | 1 | 3 | 6.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccc(F)c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526166 | 190711 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 440 | 4 | 1 | 3 | 6.1 | O=C(Cc1ccccc1Br)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5191340 | 190711 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 440 | 4 | 1 | 3 | 6.1 | O=C(Cc1ccccc1Br)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54585842 | 61723 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 492 | 5 | 1 | 5 | 6.2 | CS(=O)(=O)c1cscc1-c1cc(C(=O)O)cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774897 | 61723 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 492 | 5 | 1 | 5 | 6.2 | CS(=O)(=O)c1cscc1-c1cc(C(=O)O)cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2011.03.081 | ||
| 54582583 | 61319 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 465 | 5 | 1 | 5 | 5.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4OC)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771436 | 61319 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 465 | 5 | 1 | 5 | 5.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4OC)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526192 | 189637 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 6.0 | Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)c3)nc2c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5175099 | 189637 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 6.0 | Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)c3)nc2c1 | 10.1016/j.ejmech.2021.113933 | ||
| 54584880 | 61722 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 580 | 5 | 2 | 4 | 8.1 | O=C(O)c1cc(-c2cscc2C(O)(C(F)(F)F)C(F)(F)F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774896 | 61722 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 580 | 5 | 2 | 4 | 8.1 | O=C(O)c1cc(-c2cscc2C(O)(C(F)(F)F)C(F)(F)F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 19027172 | 61710 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 354 | 5 | 1 | 2 | 5.8 | O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774882 | 61710 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 354 | 5 | 1 | 2 | 5.8 | O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 168294899 | 191718 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 313 | 5 | 2 | 4 | 2.9 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCC2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5206480 | 191718 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 313 | 5 | 2 | 4 | 2.9 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCC2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54580548 | 61289 | 0 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4F)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771248 | 61289 | 0 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4F)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54582932 | 61720 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 4 | 1 | 3 | 7.0 | O=C(O)c1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c(-c2ccsc2)c1F | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774894 | 61720 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 4 | 1 | 3 | 7.0 | O=C(O)c1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c(-c2ccsc2)c1F | 10.1016/j.bmcl.2011.03.081 | ||
| 54585446 | 61292 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 5.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4CC)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771251 | 61292 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 5.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4CC)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 25110840 | 61341 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 467 | 4 | 1 | 5 | 5.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4c(C)noc4C)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771460 | 61341 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 467 | 4 | 1 | 5 | 5.9 | CCc1cccc(NC(=O)N2CCc3nc(-c4c(C)noc4C)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 42630802 | 61727 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 4 | 2 | 2 | 7.5 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774901 | 61727 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 4 | 2 | 2 | 7.5 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 168279771 | 190116 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 389 | 5 | 2 | 4 | 3.6 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(F)c(F)c(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5182459 | 190116 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 389 | 5 | 2 | 4 | 3.6 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(F)c(F)c(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 168276085 | 189647 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 371 | 5 | 2 | 4 | 3.5 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)c(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5175291 | 189647 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 371 | 5 | 2 | 4 | 3.5 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)c(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 155549217 | 173241 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 402 | 5 | 3 | 5 | 3.6 | O=C(O)c1cc(NC(=O)c2cnccn2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL4538561 | 173241 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 402 | 5 | 3 | 5 | 3.6 | O=C(O)c1cc(NC(=O)c2cnccn2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| 155525228 | 170355 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 425 | 5 | 3 | 4 | 4.6 | N#Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL4455311 | 170355 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 425 | 5 | 3 | 4 | 4.6 | N#Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 | 10.1016/j.ejmech.2019.111564 | ||
| 168280360 | 190590 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 367 | 6 | 2 | 4 | 3.6 | CCc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5189241 | 190590 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 367 | 6 | 2 | 4 | 3.6 | CCc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 168286955 | 190762 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 360 | 5 | 2 | 5 | 3.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(C#N)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5192153 | 190762 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 360 | 5 | 2 | 5 | 3.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(C#N)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 153526201 | 190839 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.6 | O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5193065 | 190839 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.6 | O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 168278836 | 190291 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 403 | 5 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2C(F)(F)F)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5185002 | 190291 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 403 | 5 | 2 | 4 | 4.2 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2C(F)(F)F)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 164611926 | 184588 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 331 | 4 | 2 | 2 | 4.6 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccccc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL4857372 | 184588 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 331 | 4 | 2 | 2 | 4.6 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccccc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| 155526332 | 170596 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 5 | 3 | 3 | 4.8 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL4458922 | 170596 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 5 | 3 | 3 | 4.8 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| 168297588 | 191649 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 371 | 5 | 2 | 4 | 3.5 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(F)cc(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5205552 | 191649 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 371 | 5 | 2 | 4 | 3.5 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(F)cc(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 153523840 | 191236 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 341 | 4 | 1 | 2 | 5.6 | Cc1ccc(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5198960 | 191236 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 341 | 4 | 1 | 2 | 5.6 | Cc1ccc(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 54580547 | 61275 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 465 | 5 | 1 | 5 | 5.5 | CCOc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771235 | 61275 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 465 | 5 | 1 | 5 | 5.5 | CCOc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54586410 | 61288 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 4 | 1 | 4 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4Cl)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771247 | 61288 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 4 | 1 | 4 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4Cl)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54585441 | 61271 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 421 | 3 | 1 | 4 | 5.1 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771230 | 61271 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 421 | 3 | 1 | 4 | 5.1 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 54581993 | 61711 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 340 | 4 | 1 | 2 | 6.0 | O=C(O)c1cc(-c2ccccc2)c2ccc(Oc3ccccc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774884 | 61711 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 340 | 4 | 1 | 2 | 6.0 | O=C(O)c1cc(-c2ccccc2)c2ccc(Oc3ccccc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 168285071 | 190988 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 380 | 6 | 2 | 6 | 3.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5195243 | 190988 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 380 | 6 | 2 | 6 | 3.1 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 155544120 | 172755 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 445 | 6 | 3 | 5 | 4.7 | O=C(O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| CHEMBL4526840 | 172755 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 445 | 6 | 3 | 5 | 4.7 | O=C(O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1016/j.ejmech.2019.111564 | ||
| 168293652 | 191551 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 353 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5203936 | 191551 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 353 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 168274334 | 190100 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 363 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(C)cc(C)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5182261 | 190100 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 363 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(C)cc(C)c2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54582584 | 61323 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 483 | 4 | 1 | 4 | 6.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(C)cccc4Cl)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771440 | 61323 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 483 | 4 | 1 | 4 | 6.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(C)cccc4Cl)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54580587 | 61324 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 4 | 1 | 4 | 6.7 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(Cl)cccc4Cl)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771441 | 61324 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 4 | 1 | 4 | 6.7 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(Cl)cccc4Cl)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54581995 | 61728 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 4 | 2 | 2 | 7.5 | O=C(O)c1cc(-c2ccc([C@H](O)C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774902 | 61728 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 4 | 2 | 2 | 7.5 | O=C(O)c1cc(-c2ccc([C@H](O)C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 54582545 | 61274 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 4 | 1 | 5 | 5.1 | COc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771234 | 61274 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 4 | 1 | 5 | 5.1 | COc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 168296742 | 191664 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 349 | 5 | 2 | 4 | 3.5 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2C)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5205688 | 191664 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 349 | 5 | 2 | 4 | 3.5 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2C)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 42630806 | 61719 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 414 | 4 | 1 | 3 | 6.8 | O=C(O)c1cc(-c2ccsc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774893 | 61719 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 414 | 4 | 1 | 3 | 6.8 | O=C(O)c1cc(-c2ccsc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 126720243 | 170339 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 449 | 3 | 2 | 2 | 5.9 | O=C(O)c1cc(C#Cc2ccc(C(F)(F)F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4455037 | 170339 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 449 | 3 | 2 | 2 | 5.9 | O=C(O)c1cc(C#Cc2ccc(C(F)(F)F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 54587430 | 61272 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 455 | 3 | 1 | 4 | 5.8 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771232 | 61272 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 455 | 3 | 1 | 4 | 5.8 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 54583514 | 61273 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 455 | 3 | 1 | 4 | 5.8 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771233 | 61273 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 455 | 3 | 1 | 4 | 5.8 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 153526173 | 190610 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 430 | 4 | 1 | 3 | 6.3 | O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5189611 | 190610 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 430 | 4 | 1 | 3 | 6.3 | O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 153526188 | 189631 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 5.6 | Cc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5175004 | 189631 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 5.6 | Cc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 168293347 | 191538 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 365 | 6 | 2 | 5 | 3.2 | COc1cccc(Cn2nc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)c1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5203764 | 191538 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 365 | 6 | 2 | 5 | 3.2 | COc1cccc(Cn2nc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)c1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54583557 | 61328 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 6.6 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771446 | 61328 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 6.6 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54582546 | 61286 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 485 | 4 | 1 | 4 | 6.2 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C(C)(F)F)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771245 | 61286 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 485 | 4 | 1 | 4 | 6.2 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C(C)(F)F)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 54583515 | 61276 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 467 | 4 | 1 | 5 | 5.8 | CSc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771236 | 61276 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 467 | 4 | 1 | 5 | 5.8 | CSc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54586409 | 61283 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 4 | 1 | 5 | 5.3 | CC(=O)c1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771242 | 61283 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 4 | 1 | 5 | 5.3 | CC(=O)c1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 136088963 | 61320 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 5 | 5.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4O)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771437 | 61320 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 5 | 5.1 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4O)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 168278286 | 190520 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 377 | 6 | 2 | 5 | 3.4 | CC(=O)c1ccc(Cn2nc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5188038 | 190520 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 377 | 6 | 2 | 5 | 3.4 | CC(=O)c1ccc(Cn2nc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 168295924 | 191829 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 369 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5208342 | 191829 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 369 | 5 | 2 | 4 | 3.8 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 54585445 | 61291 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 483 | 4 | 1 | 4 | 6.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccc(Cl)cc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771250 | 61291 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 483 | 4 | 1 | 4 | 6.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccc(Cl)cc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54582586 | 61330 | 0 | None | - | 1 | Mouse | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 516 | 4 | 1 | 3 | 7.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771449 | 61330 | 0 | None | - | 1 | Mouse | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 516 | 4 | 1 | 3 | 7.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 42630568 | 61729 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 472 | 5 | 2 | 2 | 7.2 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| CHEMBL1774903 | 61729 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 472 | 5 | 2 | 2 | 7.2 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.bmcl.2011.03.081 | ||
| 41616259 | 190746 | 2 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 342 | 4 | 1 | 3 | 5.0 | Cc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5191983 | 190746 | 2 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 342 | 4 | 1 | 3 | 5.0 | Cc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 54581547 | 61278 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.7 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771238 | 61278 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.7 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54585442 | 61284 | 0 | None | - | 1 | Mouse | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 4 | 2 | 5 | 5.2 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C(C)O)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771243 | 61284 | 0 | None | - | 1 | Mouse | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 4 | 2 | 5 | 5.2 | Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1cccc(C(C)O)c1)CC2 | 10.1016/j.bmcl.2011.03.084 | ||
| 54582585 | 61327 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 448 | 4 | 1 | 3 | 6.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771445 | 61327 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 448 | 4 | 1 | 3 | 6.3 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54580589 | 61335 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 498 | 4 | 1 | 3 | 7.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771454 | 61335 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 498 | 4 | 1 | 3 | 7.4 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 54586443 | 61322 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 463 | 4 | 1 | 4 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(C)cccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| CHEMBL1771439 | 61322 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 463 | 4 | 1 | 4 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4c(C)cccc4C)c3C2)c1 | 10.1016/j.bmcl.2011.03.084 | ||
| 2972254 | 189468 | 9 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 5.3 | COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5172530 | 189468 | 9 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 5.3 | COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 | 10.1016/j.ejmech.2021.113933 | ||
| 153526185 | 191618 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 342 | 4 | 1 | 3 | 5.0 | Cc1ccccc1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5204942 | 191618 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 342 | 4 | 1 | 3 | 5.0 | Cc1ccccc1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 168271452 | 190003 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 5.9 | Cc1cccc(CC(=O)Nc2cc(C)cc(-c3nc4cc(Cl)ccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5180780 | 190003 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 5.9 | Cc1cccc(CC(=O)Nc2cc(C)cc(-c3nc4cc(Cl)ccc4o3)c2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 164621154 | 185486 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 337 | 4 | 2 | 3 | 4.7 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccsc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| CHEMBL4871413 | 185486 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 337 | 4 | 2 | 3 | 4.7 | Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccsc3)c2)cc1 | 10.1016/j.ejmech.2021.113313 | ||
| 153526180 | 190365 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 6.2 | O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| CHEMBL5186024 | 190365 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 6.2 | O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 | 10.1016/j.ejmech.2021.113933 | ||
| 168296672 | 191915 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 327 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCCC2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| CHEMBL5209515 | 191915 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 327 | 5 | 2 | 4 | 3.3 | Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCCC2)cc1 | 10.1021/acs.jmedchem.2c01632 | ||
| 124221650 | 2619 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.6b00044 | ||
| 124221651 | 2619 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.6b00044 | ||
| 9470 | 2619 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4447162 | 2619 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.6b00044 | ||
| 42611190 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.1c01964 | ||
| 5802 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.1c01964 | ||
| CHEMBL1800685 | 3095 | 7 | None | 5 | 2 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.1c01964 | ||
| 124221652 | 2620 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | Guide to Pharmacology | 1070 | 20 | 10 | 20 | -0.1 | O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)[C@H]1O[C@H](OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 26303895 | ||
| 9471 | 2620 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | Guide to Pharmacology | 1070 | 20 | 10 | 20 | -0.1 | O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)[C@H]1O[C@H](OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 26303895 | ||
| 126456135 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 17407275 | ||
| 126456135 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 22825617 | ||
| 3337 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 17407275 | ||
| 3337 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 22825617 | ||
| 73755042 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 17407275 | ||
| 73755042 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 22825617 | ||
| 90488784 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 17407275 | ||
| 90488784 | 2606 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | Guide to Pharmacology | 626 | 11 | 7 | 18 | -3.2 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O | 22825617 | ||
| 1782 | 3849 | 13 | None | -10 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10753868 | ||
| 18068 | 3849 | 13 | None | -10 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10753868 | ||
| CHEMBL439009 | 3849 | 13 | None | -10 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10753868 | ||
| DB03501 | 3849 | 13 | None | -10 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 10753868 | ||
| 146015339 | 3847 | 30 | None | -1 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19759354 | ||
| 1749 | 3847 | 30 | None | -1 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19759354 | ||
| 6031 | 3847 | 30 | None | -1 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19759354 | ||
| CHEMBL130266 | 3847 | 30 | None | -1 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19759354 | ||
| DB03435 | 3847 | 30 | None | -1 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19759354 | ||
| 5909 | 2611 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 438 | 6 | 6 | 9 | -1.9 | O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O | 19902968 | ||
| 91827349 | 2611 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 438 | 6 | 6 | 9 | -1.9 | O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O | 19902968 | ||
| 16082712 | 89 | 1 | None | 8 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 19902968 | ||
| 6202 | 89 | 1 | None | 8 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 19902968 | ||
| CHEMBL216011 | 89 | 1 | None | 8 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 19902968 | ||
| 5908 | 2612 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 432 | 7 | 6 | 9 | -1.1 | O[C@H]1[C@@H](COP(=O)(CCP(=O)(O)O)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=S | 21484092 | ||
| 91827348 | 2612 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 432 | 7 | 6 | 9 | -1.1 | O[C@H]1[C@@H](COP(=O)(CCP(=O)(O)O)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=S | 21484092 | ||
| 6203 | 352 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | Guide to Pharmacology | 414 | 6 | 4 | 7 | 1.4 | C[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=S | 19902968 | ||
| 73755188 | 352 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | Guide to Pharmacology | 414 | 6 | 4 | 7 | 1.4 | C[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=S | 19902968 | ||
| 1779 | 3852 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | None | 6 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 19339661 | ||
| 445675 | 3852 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | None | 6 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 19339661 | ||
| CHEMBL388154 | 3852 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | None | 6 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 19339661 | ||
| DB03397 | 3852 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | None | 6 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 19339661 | ||
| 1779 | 3852 | 0 | None | -1 | 3 | Rat | 6.8 | pEC50 | None | 6.8 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| 445675 | 3852 | 0 | None | -1 | 3 | Rat | 6.8 | pEC50 | None | 6.8 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| CHEMBL388154 | 3852 | 0 | None | -1 | 3 | Rat | 6.8 | pEC50 | None | 6.8 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| DB03397 | 3852 | 0 | None | -1 | 3 | Rat | 6.8 | pEC50 | None | 6.8 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| 17473 | 3851 | 13 | None | -1 | 3 | Rat | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| 1784 | 3851 | 13 | None | -1 | 3 | Rat | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| CHEMBL228057 | 3851 | 13 | None | -1 | 3 | Rat | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| DB03041 | 3851 | 13 | None | -1 | 3 | Rat | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| 1779 | 3852 | 0 | None | 1 | 3 | Mouse | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| 445675 | 3852 | 0 | None | 1 | 3 | Mouse | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| CHEMBL388154 | 3852 | 0 | None | 1 | 3 | Mouse | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| DB03397 | 3852 | 0 | None | 1 | 3 | Mouse | 7.0 | pEC50 | None | 7 | Functional | Guide to Pharmacology | 607 | 10 | 9 | 16 | -4.7 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | 11735218 | ||
| 1782 | 3849 | 13 | None | -3 | 5 | Rat | 7.1 | pEC50 | None | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| 18068 | 3849 | 13 | None | -3 | 5 | Rat | 7.1 | pEC50 | None | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| CHEMBL439009 | 3849 | 13 | None | -3 | 5 | Rat | 7.1 | pEC50 | None | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| DB03501 | 3849 | 13 | None | -3 | 5 | Rat | 7.1 | pEC50 | None | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| 17473 | 3851 | 13 | None | -2 | 3 | Human | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19339661 | ||
| 17473 | 3851 | 13 | None | 1 | 3 | Mouse | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| 1784 | 3851 | 13 | None | -2 | 3 | Human | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19339661 | ||
| 1784 | 3851 | 13 | None | 1 | 3 | Mouse | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| CHEMBL228057 | 3851 | 13 | None | -2 | 3 | Human | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19339661 | ||
| CHEMBL228057 | 3851 | 13 | None | 1 | 3 | Mouse | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| DB03041 | 3851 | 13 | None | -2 | 3 | Human | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 19339661 | ||
| DB03041 | 3851 | 13 | None | 1 | 3 | Mouse | 7.2 | pEC50 | None | 7.2 | Functional | Guide to Pharmacology | 580 | 9 | 9 | 16 | -4.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 11735218 | ||
| 1782 | 3849 | 13 | None | 1 | 5 | Mouse | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| 18068 | 3849 | 13 | None | 1 | 5 | Mouse | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| CHEMBL439009 | 3849 | 13 | None | 1 | 5 | Mouse | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| DB03501 | 3849 | 13 | None | 1 | 5 | Mouse | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O | 11735218 | ||
| 1783 | 3850 | 18 | None | -1 | 7 | Rat | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| 8629 | 3850 | 18 | None | -1 | 7 | Rat | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| CHEMBL375951 | 3850 | 18 | None | -1 | 7 | Rat | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| DB01861 | 3850 | 18 | None | -1 | 7 | Rat | 7.6 | pEC50 | None | 7.6 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| 1783 | 3850 | 18 | None | -1 | 7 | Mouse | 7.7 | pEC50 | None | 7.7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| 8629 | 3850 | 18 | None | -1 | 7 | Mouse | 7.7 | pEC50 | None | 7.7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| CHEMBL375951 | 3850 | 18 | None | -1 | 7 | Mouse | 7.7 | pEC50 | None | 7.7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| DB01861 | 3850 | 18 | None | -1 | 7 | Mouse | 7.7 | pEC50 | None | 7.7 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 11735218 | ||
| 134611896 | 2622 | 2 | None | 3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 29767967 | ||
| 9999 | 2622 | 2 | None | 3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 29767967 | ||
| CHEMBL4299805 | 2622 | 2 | None | 3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 29767967 | ||
| 134611895 | 2621 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 29767967 | ||
| 9998 | 2621 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 29767967 | ||
| CHEMBL4212721 | 2621 | 2 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 29767967 | ||
| 1783 | 3850 | 18 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 19339661 | ||
| 8629 | 3850 | 18 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 19339661 | ||
| CHEMBL375951 | 3850 | 18 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 19339661 | ||
| DB01861 | 3850 | 18 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 566 | 9 | 9 | 16 | -4.8 | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O | 19339661 | ||
| 11453 | 2623 | 0 | None | -1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | 505 | 5 | 1 | 3 | 7.6 | CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 32551012 | ||
| 155817521 | 2623 | 0 | None | -1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | 505 | 5 | 1 | 3 | 7.6 | CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 32551012 | ||
| 11453 | 2623 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 505 | 5 | 1 | 3 | 7.6 | CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 32551012 | ||
| 155817521 | 2623 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 505 | 5 | 1 | 3 | 7.6 | CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 32551012 | ||
| 146015339 | 3847 | 30 | None | -3 | 7 | Rat | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 18252808 | ||
| 1749 | 3847 | 30 | None | -3 | 7 | Rat | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 18252808 | ||
| 6031 | 3847 | 30 | None | -3 | 7 | Rat | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 18252808 | ||
| CHEMBL130266 | 3847 | 30 | None | -3 | 7 | Rat | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 18252808 | ||
| DB03435 | 3847 | 30 | None | -3 | 7 | Rat | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 404 | 6 | 6 | 10 | -2.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 18252808 | ||
| 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 |
| 44422870 | 85137 | 2 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1016/j.bmc.2015.03.042 | ||
| CHEMBL228111 | 85137 | 2 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 582 | 9 | 9 | 16 | -3.4 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 | 10.1016/j.bmc.2015.03.042 | ||
| 16082712 | 89 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 10.1016/j.bmc.2015.03.042 | ||
| 6202 | 89 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 10.1016/j.bmc.2015.03.042 | ||
| CHEMBL216011 | 89 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 6 | 10 | -1.2 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S | 10.1016/j.bmc.2015.03.042 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | nan | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL5083619 | 213093 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | N[C@@H]1C[C@H](CO)[C@@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5093569 | 213647 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | N[C@@H]1C[C@H](CO)C[C@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5081782 | 212987 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3C(=O)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5079515 | 212839 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | N[C@H]1C[C@@H](C(=O)O)[C@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5093465 | 213644 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5090079 | 213457 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CS(=O)(=O)C1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 156019395 | 177425 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 6.1 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4646514 | 177425 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 6.1 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145978515 | 163125 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 4.0 | NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)o1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4204811 | 163125 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 4.0 | NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)o1 | 10.1021/acs.jmedchem.8b00168 | ||
| 1748 | 2610 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmcl.2021.128137 | ||
| 44585949 | 2610 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL507060 | 2610 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 402 | 6 | 6 | 9 | -2.5 | O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 10.1016/j.bmcl.2021.128137 | ||
| 156012972 | 176930 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 5.1 | O=C(O)c1[nH]c(-c2ccc(C3CCNCC3)cc2)cc1-c1cn(-c2ccc(C(F)(F)F)cc2)nn1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4639693 | 176930 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 5.1 | O=C(O)c1[nH]c(-c2ccc(C3CCNCC3)cc2)cc1-c1cn(-c2ccc(C(F)(F)F)cc2)nn1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5074788 | 212552 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@]3(O)C[C@H]4CC[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 135357071 | 171059 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 502 | 5 | 2 | 5 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Br)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4465763 | 171059 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 502 | 5 | 2 | 5 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Br)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 139392339 | 176743 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 504 | 5 | 2 | 5 | 5.6 | O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4637158 | 176743 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 504 | 5 | 2 | 5 | 5.6 | O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5083835 | 213104 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@]3(O)C[C@H]4CC[C@@H](C3)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145966990 | 163829 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 539 | 8 | 3 | 9 | 3.9 | NCCCNC(=O)c1ccc(-c2cc(-c3nnn[nH]3)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4213231 | 163829 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 539 | 8 | 3 | 9 | 3.9 | NCCCNC(=O)c1ccc(-c2cc(-c3nnn[nH]3)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5085145 | 213168 | 0 | None | - | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | N[C@H]1C[C@@H](CO)[C@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5077574 | 212726 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | N[C@H]1C[C@@H](CO)C[C@@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145971541 | 163908 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 527 | 5 | 2 | 7 | 4.4 | O=C(O)c1cc(-c2ccc(C(=O)N3CCNCC3)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4214132 | 163908 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 527 | 5 | 2 | 7 | 4.4 | O=C(O)c1cc(-c2ccc(C(=O)N3CCNCC3)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585459 | 184378 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 466 | 6 | 2 | 5 | 4.3 | NC(=O)Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4854060 | 184378 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 466 | 6 | 2 | 5 | 4.3 | NC(=O)Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5074765 | 212551 | 0 | None | - | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139392057 | 163768 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4212441 | 163768 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| 139392057 | 163768 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4212441 | 163768 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 155525420 | 170543 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 5.7 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4458050 | 170543 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 5.7 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 139392365 | 177473 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 9 | 1 | 2 | 9.7 | CCCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4647290 | 177473 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 9 | 1 | 2 | 9.7 | CCCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145973771 | 164156 | 0 | None | - | 7 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 164156 | 0 | None | - | 7 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 139392135 | 177377 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 517 | 6 | 1 | 2 | 8.5 | CCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645854 | 177377 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 517 | 6 | 1 | 2 | 8.5 | CCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145965191 | 163534 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 665 | 11 | 3 | 9 | 6.0 | CC(C)(C)OC(=O)NCCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4209607 | 163534 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 665 | 11 | 3 | 9 | 6.0 | CC(C)(C)OC(=O)NCCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 139392069 | 176874 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 5 | 1 | 2 | 7.7 | C#CCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4638909 | 176874 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 5 | 1 | 2 | 7.7 | C#CCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 42628974 | 61718 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 406 | 5 | 1 | 3 | 6.6 | Cc1cc(F)cc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 | 10.1016/j.ejmech.2019.04.068 | ||
| CHEMBL1774892 | 61718 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 406 | 5 | 1 | 3 | 6.6 | Cc1cc(F)cc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 | 10.1016/j.ejmech.2019.04.068 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| 145946839 | 167013 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 3.8 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4207803 | 167013 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 3.8 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4300744 | 167013 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 3.8 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 156021071 | 177581 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 825 | 25 | 1 | 9 | 7.7 | COCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4649076 | 177581 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 825 | 25 | 1 | 9 | 7.7 | COCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585355 | 184718 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 464 | 5 | 2 | 5 | 5.3 | NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4859398 | 184718 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 464 | 5 | 2 | 5 | 5.3 | NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 132280527 | 170318 | 1 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4454538 | 170318 | 1 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| 132280527 | 170318 | 1 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4454538 | 170318 | 1 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585341 | 185918 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 2 | 5 | 4.9 | Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4877496 | 185918 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 424 | 4 | 2 | 5 | 4.9 | Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145946622 | 166989 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.5 | CCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4216270 | 166989 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.5 | CCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4300426 | 166989 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.5 | CCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585602 | 185047 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 489 | 5 | 2 | 4 | 7.0 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4864408 | 185047 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 489 | 5 | 2 | 4 | 7.0 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5079102 | 212825 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3(O)[C@H]4CC[C@H]3CNC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5092515 | 213590 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@]3(O)C[C@H]4CC[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145968000 | 164238 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 563 | 6 | 2 | 8 | 4.0 | O=C(O)c1cc(-c2ccc(S(=O)(=O)N3CCNCC3)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4218414 | 164238 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 563 | 6 | 2 | 8 | 4.0 | O=C(O)c1cc(-c2ccc(S(=O)(=O)N3CCNCC3)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585437 | 185589 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 6 | 3 | 6 | 5.3 | O=C(O)c1cc(-c2ccc(NC(=O)C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4872692 | 185589 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 535 | 6 | 3 | 6 | 5.3 | O=C(O)c1cc(-c2ccc(NC(=O)C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145978299 | 163163 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 2 | 2 | 2 | 4.9 | O=C(O)c1cc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4205190 | 163163 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 2 | 2 | 2 | 4.9 | O=C(O)c1cc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acsmedchemlett.0c00115 | ||
| 135356877 | 175350 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 10 | 2 | 6 | 6.3 | CCCCCOc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4587611 | 175350 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 10 | 2 | 6 | 6.3 | CCCCCOc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| 145974993 | 164198 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 557 | 6 | 2 | 7 | 3.9 | O=C(O)c1cc(-c2ccc(S(=O)(=O)N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4217880 | 164198 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 557 | 6 | 2 | 7 | 3.9 | O=C(O)c1cc(-c2ccc(S(=O)(=O)N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 145977566 | 163090 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 3.4 | O=C(O)c1cc(O)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4204323 | 163090 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 3.4 | O=C(O)c1cc(O)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5087161 | 213290 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | N[C@@H]1C[C@H](C(=O)O)C[C@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 155549257 | 173229 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 436 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Cl | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4538320 | 173229 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 436 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Cl | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4849188 | 173229 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 436 | 6 | 6 | 9 | -1.9 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Cl | 10.1016/j.bmcl.2021.128137 | ||
| 139406866 | 177127 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-c3cn(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4642215 | 177127 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-c3cn(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 134611895 | 2621 | 2 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acsmedchemlett.0c00115 | ||
| 9998 | 2621 | 2 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4212721 | 2621 | 2 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acsmedchemlett.0c00115 | ||
| 134611895 | 2621 | 2 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.8b00168 | ||
| 9998 | 2621 | 2 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4212721 | 2621 | 2 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.8b00168 | ||
| 164585582 | 185435 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 5.2 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)n1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4870627 | 185435 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 5.2 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)n1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5086827 | 213268 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC1CC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CCN1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5083619 | 213093 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | N[C@@H]1C[C@H](CO)[C@@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145977136 | 163260 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1cc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cs1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4206291 | 163260 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1cc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cs1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585426 | 185923 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 462 | 6 | 1 | 5 | 5.8 | N#CCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4877577 | 185923 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 462 | 6 | 1 | 5 | 5.8 | N#CCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 139392457 | 177266 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 4 | 2 | 2 | 7.3 | O=C(O)c1cc(-c2ccc(C3=CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4644135 | 177266 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 4 | 2 | 2 | 7.3 | O=C(O)c1cc(-c2ccc(C3=CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585602 | 185047 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 489 | 5 | 2 | 4 | 7.0 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4864408 | 185047 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 489 | 5 | 2 | 4 | 7.0 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 164585622 | 184335 | 0 | None | - | 2 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 5.5 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4853466 | 184335 | 0 | None | - | 2 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 5.5 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 164585463 | 184178 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 528 | 6 | 2 | 5 | 6.6 | O=C(O)c1cc(-c2ccc(NC(=O)c3ccccc3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4851241 | 184178 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 528 | 6 | 2 | 5 | 6.6 | O=C(O)c1cc(-c2ccc(NC(=O)c3ccccc3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 164585509 | 184438 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 578 | 7 | 2 | 6 | 6.9 | CC(C)(C)OC(=O)NCC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4855087 | 184438 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 578 | 7 | 2 | 6 | 6.9 | CC(C)(C)OC(=O)NCC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| 139392488 | 177627 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 4 | 1 | 2 | 7.7 | CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4649700 | 177627 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 4 | 1 | 2 | 7.7 | CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145977780 | 163035 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 513 | 6 | 2 | 7 | 4.8 | O=C(O)c1cc(-c2ccc(CN3CCNCC3)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4203557 | 163035 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 513 | 6 | 2 | 7 | 4.8 | O=C(O)c1cc(-c2ccc(CN3CCNCC3)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585437 | 185589 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 6 | 3 | 6 | 5.3 | O=C(O)c1cc(-c2ccc(NC(=O)C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4872692 | 185589 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 6 | 3 | 6 | 5.3 | O=C(O)c1cc(-c2ccc(NC(=O)C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 139392013 | 177331 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645216 | 177331 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 139392013 | 177331 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||
| CHEMBL4645216 | 177331 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||
| CHEMBL5078197 | 212761 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC1CNCCC1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585536 | 184576 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 5 | 2 | 5 | 5.7 | NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CCC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4857222 | 184576 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 5 | 2 | 5 | 5.7 | NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CCC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 156020616 | 177546 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 5 | 4 | 3 | 4.9 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3cc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4648409 | 177546 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 5 | 4 | 3 | 4.9 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3cc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145978641 | 163417 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 532 | 5 | 2 | 7 | 5.3 | CC(C)(C)NC(=O)c1ccc(-c2cc(-c3nnn[nH]3)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4208014 | 163417 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 532 | 5 | 2 | 7 | 5.3 | CC(C)(C)NC(=O)c1ccc(-c2cc(-c3nnn[nH]3)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5079102 | 212825 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3(O)[C@H]4CC[C@H]3CNC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139392013 | 177331 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645216 | 177331 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 42611190 | 3095 | 7 | None | -87 | 6 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acsmedchemlett.0c00115 | ||
| 5802 | 3095 | 7 | None | -87 | 6 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL1800685 | 3095 | 7 | None | -87 | 6 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acsmedchemlett.0c00115 | ||
| 42611190 | 3095 | 7 | None | -87 | 6 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| 5802 | 3095 | 7 | None | -87 | 6 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL1800685 | 3095 | 7 | None | -87 | 6 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5089848 | 213446 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C34CCNCC3C4(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 155534564 | 171380 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 525 | 9 | 6 | 10 | -0.7 | O=c1[nH]/c(=N/OCc2ccccc2)c(F)cn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4470616 | 171380 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 525 | 9 | 6 | 10 | -0.7 | O=c1[nH]/c(=N/OCc2ccccc2)c(F)cn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4871928 | 171380 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 525 | 9 | 6 | 10 | -0.7 | O=c1[nH]/c(=N/OCc2ccccc2)c(F)cn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2021.128137 | ||
| 145975592 | 163118 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 10 | 3 | 8 | 4.4 | NCCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4204741 | 163118 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 10 | 3 | 8 | 4.4 | NCCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585335 | 185848 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 5 | 1 | 6 | 6.0 | O=C(O)c1cc(-c2ccc(-c3ccon3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4876369 | 185848 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 5 | 1 | 6 | 6.0 | O=C(O)c1cc(-c2ccc(-c3ccon3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 135356798 | 170824 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 5 | 2 | 5 | 6.1 | CC(C)(C)c1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4462380 | 170824 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 5 | 2 | 5 | 6.1 | CC(C)(C)c1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| 164585399 | 184598 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 635 | 6 | 2 | 7 | 6.9 | CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4857504 | 184598 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 635 | 6 | 2 | 7 | 6.9 | CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145965887 | 163525 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 537 | 8 | 3 | 8 | 3.6 | NCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4209538 | 163525 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 537 | 8 | 3 | 8 | 3.6 | NCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 135356790 | 174502 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 460 | 5 | 2 | 5 | 5.0 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(F)c(F)c3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4568641 | 174502 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 460 | 5 | 2 | 5 | 5.0 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(F)c(F)c3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 145965747 | 163708 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 615 | 9 | 3 | 8 | 6.0 | CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4211740 | 163708 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 615 | 9 | 3 | 8 | 6.0 | CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5084539 | 213139 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3=C[C@H]4CC[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139392022 | 177386 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.7 | O=C(O)c1cc(-c2ccc(N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645987 | 177386 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.7 | O=C(O)c1cc(-c2ccc(N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 135356965 | 169507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 438 | 5 | 2 | 5 | 5.1 | Cc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4443391 | 169507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 438 | 5 | 2 | 5 | 5.1 | Cc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| 164585482 | 185480 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 571 | 4 | 1 | 2 | 8.2 | O=C(O)c1cc(-c2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4871298 | 185480 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 571 | 4 | 1 | 2 | 8.2 | O=C(O)c1cc(-c2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145970281 | 163413 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 476 | 5 | 2 | 7 | 3.9 | NC(=O)c1ccc(-c2cc(-c3nnn[nH]3)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4207940 | 163413 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 476 | 5 | 2 | 7 | 3.9 | NC(=O)c1ccc(-c2cc(-c3nnn[nH]3)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 156014504 | 176660 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 467 | 5 | 4 | 3 | 4.9 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3cc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4635846 | 176660 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 467 | 5 | 4 | 3 | 4.9 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3cc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 59590494 | 177049 | 2 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 4 | 1 | 3 | 9.0 | CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4641243 | 177049 | 2 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 4 | 1 | 3 | 9.0 | CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 156018952 | 177294 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 468 | 5 | 4 | 4 | 4.3 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4644647 | 177294 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 468 | 5 | 4 | 4 | 4.3 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 139406787 | 176561 | 0 | None | - | 4 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4633982 | 176561 | 0 | None | - | 4 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| 139406787 | 176561 | 0 | None | - | 4 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4633982 | 176561 | 0 | None | - | 4 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5074947 | 212560 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3CC4CCC3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 126720252 | 164112 | 0 | None | - | 12 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 164112 | 0 | None | - | 12 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
| CHEMBL5091500 | 213527 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3C[C@@H]4CN[C@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5076127 | 212634 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3C(=O)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 156021006 | 177453 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 509 | 8 | 3 | 6 | 4.4 | NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-c3cn(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4647020 | 177453 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 509 | 8 | 3 | 6 | 4.4 | NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-c3cn(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145974515 | 164188 | 1 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 411 | 3 | 1 | 4 | 4.4 | O=C(O)c1cc(Br)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4217776 | 164188 | 1 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 411 | 3 | 1 | 4 | 4.4 | O=C(O)c1cc(Br)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 134611896 | 2622 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 10.1021/acs.jmedchem.8b00168 | ||
| 9999 | 2622 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4299805 | 2622 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5086761 | 213264 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | N[C@H]1C[C@@H](C(=O)O)C[C@@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 155770281 | 177163 | 0 | None | - | 9 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4642592 | 177163 | 0 | None | - | 9 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| 156021465 | 177457 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 954 | 28 | 2 | 11 | 8.6 | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4647092 | 177457 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 954 | 28 | 2 | 11 | 8.6 | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585460 | 185302 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.6 | O=C(O)c1cc(-c2ccc(C3(CO)COC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4868552 | 185302 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.6 | O=C(O)c1cc(-c2ccc(C3(CO)COC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5075741 | 212615 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N1C[C@@H]2C[C@H]1C[C@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 155770281 | 177163 | 0 | None | - | 9 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4642592 | 177163 | 0 | None | - | 9 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| 155770281 | 177163 | 0 | None | - | 9 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4642592 | 177163 | 0 | None | - | 9 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 135357363 | 173913 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 5 | 2 | 5 | 5.4 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4554777 | 173913 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 5 | 2 | 5 | 5.4 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 164585439 | 185294 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 5.2 | NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4868306 | 185294 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 5.2 | NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 164585348 | 184059 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 5.2 | O=C(O)c1cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc(-c2ccc(C3CCNCC3)cc2)n1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4849653 | 184059 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 5.2 | O=C(O)c1cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc(-c2ccc(C3CCNCC3)cc2)n1 | 10.1021/acs.jmedchem.1c00164 | ||
| 164585622 | 184335 | 0 | None | - | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 5.5 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4853466 | 184335 | 0 | None | - | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 5.5 | O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5085823 | 213209 | 4 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139406810 | 176643 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 428 | 5 | 3 | 3 | 4.4 | NC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)cc(C(=O)O)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4635586 | 176643 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 428 | 5 | 3 | 3 | 4.4 | NC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)cc(C(=O)O)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585347 | 185147 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 4 | 2 | 5 | 4.6 | NCC#Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4866107 | 185147 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 4 | 2 | 5 | 4.6 | NCC#Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5094130 | 213691 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3CCNC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 132280527 | 170318 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4454538 | 170318 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 132280527 | 170318 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4454538 | 170318 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| 145946347 | 166937 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 442 | 5 | 2 | 6 | 4.0 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)o1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4209732 | 166937 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 442 | 5 | 2 | 6 | 4.0 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)o1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4299839 | 166937 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 442 | 5 | 2 | 6 | 4.0 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)o1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585603 | 185019 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 524 | 5 | 2 | 6 | 6.7 | CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4863984 | 185019 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 524 | 5 | 2 | 6 | 6.7 | CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145978299 | 163163 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 332 | 2 | 2 | 2 | 4.9 | O=C(O)c1cc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4205190 | 163163 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 332 | 2 | 2 | 2 | 4.9 | O=C(O)c1cc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acsmedchemlett.0c00115 | ||
| 145978299 | 163163 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 332 | 2 | 2 | 2 | 4.9 | O=C(O)c1cc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4205190 | 163163 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 332 | 2 | 2 | 2 | 4.9 | O=C(O)c1cc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5085823 | 213209 | 4 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145964454 | 163895 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | FC(F)(F)c1ccc(-c2cn(-c3cc(Br)cc(-c4nnn[nH]4)c3)nn2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4214014 | 163895 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | FC(F)(F)c1ccc(-c2cn(-c3cc(Br)cc(-c4nnn[nH]4)c3)nn2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5078289 | 212767 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3=CC4CCC(C3)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139392339 | 176743 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 5 | 2 | 5 | 5.6 | O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4637158 | 176743 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 5 | 2 | 5 | 5.6 | O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585473 | 183969 | 0 | None | - | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4848380 | 183969 | 0 | None | - | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 122185397 | 122387 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 420 | 6 | 6 | 9 | -2.4 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL3606064 | 122387 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 420 | 6 | 6 | 9 | -2.4 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4875504 | 122387 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 420 | 6 | 6 | 9 | -2.4 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F | 10.1016/j.bmcl.2021.128137 | ||
| 122185397 | 122387 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 420 | 6 | 6 | 9 | -2.4 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F | 10.1021/acs.jmedchem.9b00164 | ||
| CHEMBL3606064 | 122387 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 420 | 6 | 6 | 9 | -2.4 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F | 10.1021/acs.jmedchem.9b00164 | ||
| CHEMBL4875504 | 122387 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 420 | 6 | 6 | 9 | -2.4 | O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F | 10.1021/acs.jmedchem.9b00164 | ||
| CHEMBL5083773 | 213099 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3NC4=O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585347 | 185147 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 462 | 4 | 2 | 5 | 4.6 | NCC#Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4866107 | 185147 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 462 | 4 | 2 | 5 | 4.6 | NCC#Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 155770279 | 177638 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 531 | 5 | 1 | 2 | 8.0 | CCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4649855 | 177638 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 531 | 5 | 1 | 2 | 8.0 | CCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| 139392013 | 177331 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645216 | 177331 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 156015426 | 176971 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 4 | 1 | 1 | 7.8 | C[N+]12CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)(CC1)CC2 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4640370 | 176971 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 4 | 1 | 1 | 7.8 | C[N+]12CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)(CC1)CC2 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5078543 | 212779 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3CC4CCC(C3)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 134611895 | 2621 | 2 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acsmedchemlett.0c00115 | ||
| 9998 | 2621 | 2 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4212721 | 2621 | 2 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acsmedchemlett.0c00115 | ||
| 134611895 | 2621 | 2 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| 9998 | 2621 | 2 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4212721 | 2621 | 2 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| 164585384 | 183912 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 5.5 | O=C(O)c1cc(-c2ccc(-c3cc(CCO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4847409 | 183912 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 5.5 | O=C(O)c1cc(-c2ccc(-c3cc(CCO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5076127 | 212634 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3C(=O)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5076678 | 212676 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | N[C@@H]1C[C@H](C(=O)O)[C@@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 155770279 | 177638 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 531 | 5 | 1 | 2 | 8.0 | CCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4649855 | 177638 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 531 | 5 | 1 | 2 | 8.0 | CCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL5081216 | 212952 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3CCN[C@@H]4C[C@H]34)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5083773 | 213099 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3NC4=O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139406783 | 176904 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 473 | 4 | 1 | 5 | 6.0 | N#Cc1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4639356 | 176904 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 473 | 4 | 1 | 5 | 6.0 | N#Cc1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585342 | 185368 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 566 | 8 | 2 | 6 | 6.8 | CC(C)(C)OC(=O)NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4869611 | 185368 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 566 | 8 | 2 | 6 | 6.8 | CC(C)(C)OC(=O)NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4566600 | 212251 | 0 | None | -4 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | nan | ||||
| CHEMBL4745071 | 212251 | 0 | None | -4 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | nan | ||||
| CHEMBL5079780 | 212858 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | COC1(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)[C@H]2CC[C@H]1CNC2 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5081827 | 212989 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCOC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5077557 | 212722 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5075522 | 212601 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3(O)[C@H]4CC[C@H]3CN(Cc3ccccc3)C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 135356879 | 174088 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 6 | 2 | 5 | 5.9 | CC(C)c1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4558911 | 174088 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 6 | 2 | 5 | 5.9 | CC(C)c1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| 156020230 | 177590 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 854 | 27 | 2 | 10 | 7.1 | NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4649194 | 177590 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 854 | 27 | 2 | 10 | 7.1 | NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5076678 | 212676 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | N[C@@H]1C[C@H](C(=O)O)[C@@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585561 | 185319 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 5.2 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)nc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4868823 | 185319 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 5.2 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)nc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL5090079 | 213457 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CS(=O)(=O)C1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 139392022 | 177386 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.7 | O=C(O)c1cc(-c2ccc(N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645987 | 177386 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.7 | O=C(O)c1cc(-c2ccc(N3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5085823 | 213209 | 4 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145946301 | 166934 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 3.8 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)nc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4211172 | 166934 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 3.8 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)nc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4299823 | 166934 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 3.8 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)nc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 145977351 | 163170 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 627 | 5 | 1 | 8 | 6.1 | CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)s2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4205258 | 163170 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 627 | 5 | 1 | 8 | 6.1 | CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)s2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| 145978183 | 163422 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 663 | 6 | 1 | 9 | 5.6 | CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)s2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4208103 | 163422 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 663 | 6 | 1 | 9 | 5.6 | CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)s2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| 156015426 | 176971 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 4 | 1 | 1 | 7.8 | C[N+]12CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)(CC1)CC2 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4640370 | 176971 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 4 | 1 | 1 | 7.8 | C[N+]12CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)(CC1)CC2 | 10.1021/acs.jmedchem.0c00745 | ||
| 145946517 | 166995 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 5 | 2 | 5 | 4.7 | CNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4204183 | 166995 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 5 | 2 | 5 | 4.7 | CNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4300528 | 166995 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 5 | 2 | 5 | 4.7 | CNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 145947443 | 167100 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 5 | 2 | 7 | 3.2 | NC(=O)c1cnc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4213423 | 167100 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 5 | 2 | 7 | 3.2 | NC(=O)c1cnc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4301976 | 167100 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 5 | 2 | 7 | 3.2 | NC(=O)c1cnc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 139392013 | 177331 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645216 | 177331 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5079653 | 212849 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3NC4=O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585567 | 185387 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 509 | 8 | 3 | 6 | 4.4 | NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4869802 | 185387 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 509 | 8 | 3 | 6 | 4.4 | NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145976578 | 163114 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 637 | 9 | 3 | 9 | 5.2 | CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4204678 | 163114 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 637 | 9 | 3 | 9 | 5.2 | CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.6b00044 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.6b00044 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acsmedchemlett.0c00115 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acsmedchemlett.0c00115 | ||
| 139392279 | 177179 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 5 | 3 | 3 | 4.4 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4642765 | 177179 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 5 | 3 | 3 | 4.4 | NC(=O)c1ccc(-c2cc(C(=O)O)cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1021/acs.jmedchem.0c00745 | ||
| 164585597 | 186025 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 558 | 7 | 3 | 6 | 5.7 | O=P(O)(O)OCc1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4879099 | 186025 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 558 | 7 | 3 | 6 | 5.7 | O=P(O)(O)OCc1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145946659 | 166978 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 5 | 2 | 6 | 4.0 | NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4214536 | 166978 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 5 | 2 | 6 | 4.0 | NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4300303 | 166978 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 5 | 2 | 6 | 4.0 | NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5080028 | 212878 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3CCN[C@@H]4C[C@@H]43)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585624 | 185596 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 5 | 2 | 5 | 5.0 | O=C(O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4872737 | 185596 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 5 | 2 | 5 | 5.0 | O=C(O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 139392366 | 177511 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C34CCNCC3C4(F)F)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4647874 | 177511 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C34CCNCC3C4(F)F)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5075741 | 212615 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)N1C[C@@H]2C[C@H]1C[C@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 145947737 | 167137 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 494 | 5 | 2 | 7 | 4.0 | NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4213485 | 167137 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 494 | 5 | 2 | 7 | 4.0 | NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4302471 | 167137 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 494 | 5 | 2 | 7 | 4.0 | NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 139406787 | 176561 | 0 | None | - | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4633982 | 176561 | 0 | None | - | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acsmedchemlett.0c00115 | ||
| 155540535 | 171923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 505 | 8 | 6 | 10 | -0.5 | O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4483379 | 171923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 505 | 8 | 6 | 10 | -0.5 | O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 | 10.1016/j.bmcl.2021.128137 | ||
| CHEMBL4860557 | 171923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 505 | 8 | 6 | 10 | -0.5 | O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 | 10.1016/j.bmcl.2021.128137 | ||
| 155540535 | 171923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 505 | 8 | 6 | 10 | -0.5 | O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 | 10.1021/acs.jmedchem.9b00164 | ||
| CHEMBL4483379 | 171923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 505 | 8 | 6 | 10 | -0.5 | O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 | 10.1021/acs.jmedchem.9b00164 | ||
| CHEMBL4860557 | 171923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 505 | 8 | 6 | 10 | -0.5 | O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 | 10.1021/acs.jmedchem.9b00164 | ||
| 145977870 | 163204 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 613 | 6 | 1 | 8 | 6.4 | CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)s2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4205655 | 163204 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 613 | 6 | 1 | 8 | 6.4 | CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)s2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL5092333 | 213577 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc(C3[C@H]4CC[C@H]3CNC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.8b00168 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.8b00168 | ||
| 135356919 | 169338 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 5.7 | CCCc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4441075 | 169338 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 5.7 | CCCc1ccc(-c2cn(-c3cc(C(=O)O)cc(-c4ccc(C5CCNCC5)cc4)c3)nn2)cc1 | 10.1021/acs.jmedchem.6b00044 | ||
| 145977176 | 163331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1csc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4207098 | 163331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 4.5 | NCCCNC(=O)c1csc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164585431 | 184415 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 6 | 3 | 5 | 5.5 | O=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(-c3cc(CO)on3)cc2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4854794 | 184415 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 6 | 3 | 5 | 5.5 | O=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(-c3cc(CO)on3)cc2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145946492 | 166968 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 5 | 2 | 5 | 5.8 | CC(C)(C)NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4207890 | 166968 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 5 | 2 | 5 | 5.8 | CC(C)(C)NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4300224 | 166968 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 5 | 2 | 5 | 5.8 | CC(C)(C)NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 145965286 | 163727 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 551 | 9 | 3 | 8 | 4.0 | NCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4211995 | 163727 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 551 | 9 | 3 | 8 | 4.0 | NCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 139392057 | 163768 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| CHEMBL4212441 | 163768 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acsmedchemlett.0c00115 | ||
| 139392057 | 163768 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4212441 | 163768 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 139392057 | 163768 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4212441 | 163768 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 555 | 8 | 1 | 2 | 8.9 | C#CCCCCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.8b00168 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.1c01964 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.1c01964 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.1c01964 | ||
| CHEMBL5074765 | 212551 | 0 | None | - | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585400 | 184308 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 5 | 2 | 5 | 5.3 | CC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4853085 | 184308 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 5 | 2 | 5 | 5.3 | CC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145969418 | 164286 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 739 | 16 | 2 | 6 | 9.4 | CC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4218967 | 164286 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 739 | 16 | 2 | 6 | 9.4 | CC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 139392013 | 177331 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4645216 | 177331 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 501 | 4 | 1 | 2 | 7.6 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.0c00745 | ||
| 145964225 | 163894 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 566 | 10 | 3 | 8 | 4.4 | O=C(O)c1cc(-c2ccc(S(=O)(=O)NCCCCO)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4214011 | 163894 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 566 | 10 | 3 | 8 | 4.4 | O=C(O)c1cc(-c2ccc(S(=O)(=O)NCCCCO)s2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.8b00168 | ||
| 156019395 | 177425 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 6.1 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4646514 | 177425 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 6.1 | O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5084659 | 213146 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2cc(C34CCN(CC3)CC4)ccc2Br)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 164585395 | 184277 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 478 | 6 | 2 | 5 | 5.3 | NCC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4852625 | 184277 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 478 | 6 | 2 | 5 | 5.3 | NCC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 164585522 | 185936 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 2 | 7 | 4.5 | O=C(O)c1cc(-c2ccc(-c3nnn[nH]3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4877701 | 185936 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 2 | 7 | 4.5 | O=C(O)c1cc(-c2ccc(-c3nnn[nH]3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145946302 | 166935 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 480 | 6 | 2 | 5 | 5.1 | CCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4212481 | 166935 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 480 | 6 | 2 | 5 | 5.1 | CCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4299824 | 166935 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 480 | 6 | 2 | 5 | 5.1 | CCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5087295 | 213298 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@H]4CN[C@@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| CHEMBL5087295 | 213298 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | O=C(O)c1cc(-c2ccc([C@@H]3C[C@H]4CN[C@@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 134611896 | 2622 | 2 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 10.1021/acs.jmedchem.0c00745 | ||
| 9999 | 2622 | 2 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4299805 | 2622 | 2 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 452 | 5 | 2 | 5 | 4.4 | OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N | 10.1021/acs.jmedchem.0c00745 | ||
| 135357364 | 171524 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 508 | 5 | 2 | 6 | 5.6 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Br)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| CHEMBL4472517 | 171524 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 508 | 5 | 2 | 6 | 5.6 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Br)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | ||
| 164585365 | 185896 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 5.6 | O=C(O)c1cc(-c2ccc(CCCCO)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4877136 | 185896 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 5.6 | O=C(O)c1cc(-c2ccc(CCCCO)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.1c00164 | ||
| 145971306 | 163914 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 651 | 10 | 3 | 9 | 5.6 | CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4214191 | 163914 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 651 | 10 | 3 | 9 | 5.6 | CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1 | 10.1021/acs.jmedchem.8b00168 | ||
| 145977897 | 163287 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 516 | 5 | 2 | 7 | 5.3 | FC(F)(F)c1ccc(-c2cn(-c3cc(-c4ccc(C5CCNCC5)cc4)cc(-c4nnn[nH]4)c3)nn2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4206519 | 163287 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 516 | 5 | 2 | 7 | 5.3 | FC(F)(F)c1ccc(-c2cn(-c3cc(-c4ccc(C5CCNCC5)cc4)cc(-c4nnn[nH]4)c3)nn2)cc1 | 10.1021/acs.jmedchem.8b00168 | ||
| 156020230 | 177590 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 854 | 27 | 2 | 10 | 7.1 | NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4649194 | 177590 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 854 | 27 | 2 | 10 | 7.1 | NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 156011024 | 176548 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 896 | 28 | 2 | 10 | 7.2 | CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4633795 | 176548 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 896 | 28 | 2 | 10 | 7.2 | CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL5093465 | 213644 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 | 10.1021/acs.jmedchem.1c01964 | ||||
| 124221650 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1016/j.ejmech.2019.04.068 | ||
| 124221651 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1016/j.ejmech.2019.04.068 | ||
| 9470 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1016/j.ejmech.2019.04.068 | ||
| CHEMBL4447162 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1016/j.ejmech.2019.04.068 | ||
| 124221650 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| 124221651 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| 9470 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4447162 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 10.1021/acs.jmedchem.0c00745 | ||
| 42611190 | 3095 | 7 | None | 1 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.8b00168 | ||
| 5802 | 3095 | 7 | None | 1 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL1800685 | 3095 | 7 | None | 1 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1021/acs.jmedchem.8b00168 | ||
| 42630568 | 61729 | 0 | None | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 472 | 5 | 2 | 2 | 7.2 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.ejmech.2019.04.068 | ||
| CHEMBL1774903 | 61729 | 0 | None | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 472 | 5 | 2 | 2 | 7.2 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.ejmech.2019.04.068 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | nan | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | nan | ||
| 68530100 | 87021 | 0 | None | -117 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 391 | 4 | 2 | 3 | 6.5 | Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1 | 10.1021/jm301708u | ||
| CHEMBL2333767 | 87021 | 0 | None | -117 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 391 | 4 | 2 | 3 | 6.5 | Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1 | 10.1021/jm301708u | ||
| 11510273 | 87025 | 0 | None | -208 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 6.5 | CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 | 10.1021/jm301708u | ||
| CHEMBL2333773 | 87025 | 0 | None | -208 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 6.5 | CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 | 10.1021/jm301708u | ||
| 42611190 | 3095 | 7 | None | -87 | 6 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2019.04.068 | ||
| 5802 | 3095 | 7 | None | -87 | 6 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2019.04.068 | ||
| CHEMBL1800685 | 3095 | 7 | None | -87 | 6 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2019.04.068 | ||
| 11510579 | 682 | 44 | None | -128 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 445 | 5 | 2 | 4 | 6.7 | O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F | 10.1021/jm301708u | ||
| 5808 | 682 | 44 | None | -128 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 445 | 5 | 2 | 4 | 6.7 | O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F | 10.1021/jm301708u | ||
| CHEMBL2333770 | 682 | 44 | None | -128 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 445 | 5 | 2 | 4 | 6.7 | O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F | 10.1021/jm301708u | ||
| 42630568 | 61729 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 472 | 5 | 2 | 2 | 7.2 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.ejmech.2019.04.068 | ||
| CHEMBL1774903 | 61729 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 472 | 5 | 2 | 2 | 7.2 | O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 | 10.1016/j.ejmech.2019.04.068 | ||
| 11611428 | 87023 | 0 | None | -758 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 2 | 3 | 7.1 | CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1 | 10.1021/jm301708u | ||
| CHEMBL2333771 | 87023 | 0 | None | -758 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 2 | 3 | 7.1 | CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1 | 10.1021/jm301708u | ||
| CHEMBL4566600 | 212251 | 0 | None | -4 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | nan | ||||
| CHEMBL4745071 | 212251 | 0 | None | -4 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | nan | ||||
| 124221650 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 25299434 | ||
| 124221651 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 25299434 | ||
| 9470 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 25299434 | ||
| CHEMBL4447162 | 2619 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 1213 | 21 | 6 | 14 | 9.3 | O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O | 25299434 | ||
| 42611190 | 3095 | 7 | None | -1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 23592514 | ||
| 5802 | 3095 | 7 | None | -1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 23592514 | ||
| CHEMBL1800685 | 3095 | 7 | None | -1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 23592514 | ||