Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 44627488 | 14173 | 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 | 14173 | 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 | 14173 | 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 | 85 | 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 | 85 | 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 | 85 | 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 | 2658 | 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 | 2658 | 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 | 2658 | 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 | 14174 | 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 | 14174 | 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 | 14174 | 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 | 136952 | 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 | 136952 | 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 | 2658 | 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 | 2658 | 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 | 2658 | 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 | 14213 | 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 | 14213 | 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 | 14213 | 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 | 14213 | 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 | 197006 | 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 | 197006 | 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 | 14184 | 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 | 14184 | 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 | 14184 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 14281 | 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 | 14281 | 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 | 14281 | 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 | 14183 | 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 | 14183 | 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 | 14183 | 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 | 14352 | 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 | 14352 | 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 | 14352 | 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 | 143847 | 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 | 143847 | 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 | 199710 | 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 | 199710 | 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 | 14282 | 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 | 14282 | 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 | 14282 | 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 | 200028 | 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 | 200028 | 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 | 199771 | 9 | 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 | 199771 | 9 | 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 | 14266 | 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 | 14266 | 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 | 14266 | 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 | 201573 | 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 | 201573 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 14312 | 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 | 14312 | 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 | 14312 | 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 | 136952 | 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 | 136952 | 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 | 14273 | 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 | 14273 | 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 | 14273 | 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 | 141586 | 2 | 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 | 141586 | 2 | 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 | 201407 | 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 | 201407 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 199027 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 136952 | 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 | 136952 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 199805 | 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 | 199805 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 10329 | 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 | 10329 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 199806 | 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 | 199806 | 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 | 14286 | 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 | 14286 | 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 | 14286 | 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 | 14267 | 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 | 14267 | 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 | 14267 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 142006 | 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 | 142006 | 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 | 10330 | 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 | 10330 | 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 | 10330 | 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 | 10330 | 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 | 10330 | 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 | 10330 | 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 | 14181 | 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 | 14181 | 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 | 14181 | 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 | 199776 | 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 | 199776 | 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 | 14182 | 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 | 14182 | 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 | 14182 | 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 | 85577 | 4 | 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 | 85577 | 4 | 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 | 85577 | 4 | 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 | 85577 | 4 | 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 | 199965 | 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 | 199965 | 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 | 14274 | 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 | 14274 | 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 | 14274 | 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 | 14325 | 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 | 14325 | 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 | 14325 | 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 | 200088 | 1 | 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 | 200088 | 1 | 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 | 199683 | 4 | 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 | 199683 | 4 | 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 | 199989 | 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 | 199989 | 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 | 186651 | 2 | 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 | 186651 | 2 | 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 | 200119 | 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 | 200119 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 60307 | 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 | 60307 | 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 | 14268 | 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 | 14268 | 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 | 14268 | 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 | 14275 | 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 | 14275 | 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 | 14275 | 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 | 10330 | 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 | 10330 | 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 | 10330 | 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 | 10330 | 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 | 85464 | 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 | 85464 | 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 | 85464 | 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 | 85464 | 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 | 199684 | 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 | 199684 | 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 | 85536 | 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 | 85536 | 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 | 85536 | 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 | 85536 | 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 | 199901 | 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 | 199901 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 61684 | 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 | 61684 | 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 | 169625 | 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 | 169625 | 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 | 169625 | 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 | 169625 | 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 | 192421 | 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 | 192421 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 61681 | 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 | 61681 | 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 | 189964 | 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 | 189964 | 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 | 62057 | 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 | 62057 | 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 | 62060 | 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 | 62060 | 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 | 190628 | 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 | 190628 | 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 | 61665 | 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 | 61665 | 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 | 61683 | 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 | 61683 | 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 | 191837 | 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 | 191837 | 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 | 190215 | 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 | 190215 | 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 | 190842 | 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 | 190842 | 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 | 61625 | 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 | 61625 | 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 | 61626 | 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 | 61626 | 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 | 61634 | 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 | 61634 | 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 | 61680 | 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 | 61680 | 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 | 62070 | 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 | 62070 | 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 | 190400 | 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 | 190400 | 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 | 61673 | 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 | 61673 | 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 | 62065 | 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 | 62065 | 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 | 62059 | 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 | 62059 | 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 | 191233 | 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 | 191233 | 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 | 62062 | 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 | 62062 | 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 | 189879 | 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 | 189879 | 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 | 61675 | 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 | 61675 | 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 | 61670 | 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 | 61670 | 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 | 190822 | 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 | 190822 | 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 | 61623 | 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 | 61623 | 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 | 61676 | 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 | 61676 | 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 | 191344 | 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 | 191344 | 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 | 61631 | 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 | 61631 | 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 | 191017 | 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 | 191017 | 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 | 189937 | 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 | 189937 | 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 | 191268 | 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 | 191268 | 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 | 62056 | 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 | 62056 | 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 | 62068 | 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 | 62068 | 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 | 61621 | 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 | 61621 | 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 | 190997 | 11 | 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 | 190997 | 11 | 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 | 185007 | 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 | 185007 | 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 | 185243 | 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 | 185243 | 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 | 186382 | 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 | 186382 | 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 | 62069 | 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 | 62069 | 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 | 190423 | 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 | 190423 | 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 | 62058 | 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 | 62058 | 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 | 191183 | 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 | 191183 | 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 | 191412 | 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 | 191412 | 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 | 190592 | 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 | 190592 | 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 | 191560 | 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 | 191560 | 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 | 61677 | 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 | 61677 | 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 | 190132 | 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 | 190132 | 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 | 62061 | 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 | 62061 | 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 | 190985 | 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 | 190985 | 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 | 61669 | 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 | 61669 | 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 | 61629 | 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 | 61629 | 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 | 61682 | 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 | 61682 | 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 | 175492 | 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 | 175492 | 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 | 192127 | 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 | 192127 | 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 | 191567 | 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 | 191567 | 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 | 61678 | 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 | 61678 | 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 | 191315 | 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 | 191315 | 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 | 62067 | 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 | 62067 | 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 | 61663 | 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 | 61663 | 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 | 190241 | 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 | 190241 | 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 | 62066 | 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 | 62066 | 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 | 62054 | 0 | None | -1 | 2 | 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 | 62054 | 0 | None | -1 | 2 | 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 | 192326 | 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 | 192326 | 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 | 61633 | 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 | 61633 | 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 | 62064 | 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 | 62064 | 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 | 61636 | 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 | 61636 | 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 | 61685 | 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 | 61685 | 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 | 62071 | 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 | 62071 | 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 | 190720 | 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 | 190720 | 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 | 190251 | 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 | 190251 | 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 | 173823 | 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 | 173823 | 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 | 170932 | 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 | 170932 | 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 | 191194 | 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 | 191194 | 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 | 191366 | 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 | 191366 | 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 | 191445 | 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 | 191445 | 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 | 190895 | 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 | 190895 | 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 | 185181 | 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 | 185181 | 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 | 171172 | 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 | 171172 | 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 | 192257 | 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 | 192257 | 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 | 191842 | 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 | 191842 | 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 | 61619 | 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 | 61619 | 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 | 61632 | 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 | 61632 | 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 | 61615 | 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 | 61615 | 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 | 62055 | 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 | 62055 | 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 | 191594 | 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 | 191594 | 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 | 173337 | 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 | 173337 | 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 | 192159 | 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 | 192159 | 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 | 190704 | 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 | 190704 | 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 | 61667 | 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 | 61667 | 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 | 61668 | 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 | 61668 | 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 | 62072 | 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 | 62072 | 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 | 61618 | 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 | 61618 | 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 | 192272 | 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 | 192272 | 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 | 62063 | 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 | 62063 | 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 | 170916 | 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 | 170916 | 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 | 61616 | 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 | 61616 | 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 | 61617 | 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 | 61617 | 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 | 191214 | 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 | 191214 | 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 | 190235 | 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 | 190235 | 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 | 192146 | 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 | 192146 | 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 | 61672 | 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 | 61672 | 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 | 61630 | 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 | 61630 | 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 | 61620 | 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 | 61620 | 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 | 61627 | 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 | 61627 | 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 | 61664 | 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 | 61664 | 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 | 191124 | 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 | 191124 | 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 | 192437 | 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 | 192437 | 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 | 61635 | 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 | 61635 | 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 | 61674 | 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 | 61674 | 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 | 62073 | 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 | 62073 | 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 | 191350 | 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 | 191350 | 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 | 61622 | 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 | 61622 | 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 | 61628 | 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 | 61628 | 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 | 61671 | 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 | 61671 | 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 | 61679 | 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 | 61679 | 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 | 61666 | 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 | 61666 | 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 | 190071 | 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 | 190071 | 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 | 192226 | 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 | 192226 | 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 | 190607 | 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 | 190607 | 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 | 186078 | 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 | 186078 | 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 | 190969 | 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 | 190969 | 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 | 192523 | 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 | 192523 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 2668 | 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 | 2668 | 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 | 2654 | 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 | 2654 | 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 | 2654 | 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 | 2654 | 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 | 2654 | 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 | 2654 | 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 | 2654 | 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 | 2654 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 3922 | 32 | 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 | 2659 | 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 | 2659 | 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 | 85 | 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 | 85 | 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 | 85 | 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 | 2660 | 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 | 2660 | 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 | 355 | 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 | 355 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3927 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3926 | 18 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3924 | 16 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 2670 | 4 | 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 | 2670 | 4 | 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 | 2670 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 3925 | 25 | 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 | 2671 | 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 | 2671 | 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 | 2671 | 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 | 2671 | 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 | ||
| 13422 | 2986 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 345 | 4 | 2 | 3 | 3.3 | C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)N=CN3)Br | 38874515 | ||
| 166194091 | 2986 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 345 | 4 | 2 | 3 | 3.3 | C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)N=CN3)Br | 38874515 | ||
| 146015339 | 3922 | 32 | None | -5 | 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 | 3922 | 32 | None | -5 | 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 | 3922 | 32 | None | -5 | 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 | 3922 | 32 | None | -5 | 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 | 3922 | 32 | None | -5 | 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 (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 44422870 | 85577 | 4 | 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 | 85577 | 4 | 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 | |||
| 146015339 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 1749 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 6031 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| CHEMBL130266 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| DB03435 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 146015339 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 1749 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 6031 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| CHEMBL130266 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| DB03435 | 3922 | 32 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 146015339 | 3922 | 32 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 1749 | 3922 | 32 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 6031 | 3922 | 32 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| CHEMBL130266 | 3922 | 32 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| DB03435 | 3922 | 32 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | 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/acs.jmedchem.5b01972 | |||
| 146015339 | 3922 | 32 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | 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/acs.jmedchem.5b01972 | |||
| 1749 | 3922 | 32 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | 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/acs.jmedchem.5b01972 | |||
| 6031 | 3922 | 32 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | 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/acs.jmedchem.5b01972 | |||
| CHEMBL130266 | 3922 | 32 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | 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/acs.jmedchem.5b01972 | |||
| DB03435 | 3922 | 32 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | 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/acs.jmedchem.5b01972 | |||
| 42611190 | 3156 | 12 | 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 | 10.6019/CHEMBL5210307 | |||
| 5802 | 3156 | 12 | 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 | 10.6019/CHEMBL5210307 | |||
| CHEMBL1800685 | 3156 | 12 | 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 | 10.6019/CHEMBL5210307 | |||
| CHEMBL5083619 | 214875 | 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 | 215432 | 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 | 214769 | 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 | 214621 | 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 | 215429 | 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 | 215241 | 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 | 178009 | 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 | 178009 | 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 | 163688 | 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 | 163688 | 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 | 2658 | 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 | 2658 | 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 | 2658 | 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 | 177514 | 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 | 177514 | 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 | 214333 | 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 | 171635 | 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 | 171635 | 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 | 177327 | 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 | 177327 | 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 | 214886 | 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 | 164392 | 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 | 164392 | 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 | 214951 | 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 | 214507 | 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 | 164471 | 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 | 164471 | 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 | 184971 | 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 | 184971 | 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 | 214332 | 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 | 164331 | 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 | 164331 | 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 | 164331 | 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 | 164331 | 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 | 171119 | 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 | 171119 | 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 | 178057 | 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 | 178057 | 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 | 164719 | 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 | 164719 | 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 | 177961 | 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 | 177961 | 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 | 164097 | 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 | 164097 | 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 | 177458 | 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 | 177458 | 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 | 62062 | 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 | 62062 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 167585 | 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 | 167585 | 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 | 167585 | 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 | 178165 | 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 | 178165 | 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 | 185310 | 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 | 185310 | 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 | 170895 | 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 | 170895 | 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 | 170895 | 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 | 170895 | 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 | 186510 | 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 | 186510 | 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 | 167561 | 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 | 167561 | 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 | 167561 | 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 | 185639 | 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 | 185639 | 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 | 214607 | 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 | 215374 | 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 | 164801 | 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 | 164801 | 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 | 186181 | 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 | 186181 | 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 | 163726 | 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 | 163726 | 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 | 175933 | 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 | 175933 | 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 | 164761 | 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 | 164761 | 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 | 163653 | 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 | 163653 | 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 | 215073 | 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 | 173811 | 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 | 173811 | 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 | 173811 | 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 | 177711 | 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 | 177711 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 186027 | 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 | 186027 | 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 | 215051 | 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 | 214875 | 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 | 163823 | 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 | 163823 | 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 | 186515 | 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 | 186515 | 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 | 177850 | 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 | 177850 | 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 | 185639 | 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 | 185639 | 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 | 184928 | 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 | 184928 | 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 | 184771 | 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 | 184771 | 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 | 185031 | 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 | 185031 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 178211 | 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 | 178211 | 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 | 163598 | 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 | 163598 | 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 | 186181 | 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 | 186181 | 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 | 177915 | 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 | 177915 | 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 | 177915 | 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 | 177915 | 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 | 214543 | 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 | 185169 | 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 | 185169 | 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 | 178130 | 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 | 178130 | 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 | 163980 | 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 | 163980 | 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 | 214607 | 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 | 177915 | 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 | 177915 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 215230 | 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 | 171956 | 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 | 171956 | 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 | 171956 | 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 | 163681 | 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 | 163681 | 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 | 186440 | 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 | 186440 | 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 | 171400 | 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 | 171400 | 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 | 185191 | 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 | 185191 | 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 | 164088 | 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 | 164088 | 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 | 175084 | 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 | 175084 | 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 | 164271 | 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 | 164271 | 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 | 214922 | 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 | 177970 | 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 | 177970 | 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 | 170085 | 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 | 170085 | 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 | 186072 | 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 | 186072 | 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 | 163976 | 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 | 163976 | 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 | 177244 | 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 | 177244 | 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 | 177633 | 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 | 177633 | 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 | 177878 | 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 | 177878 | 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 | 177145 | 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 | 177145 | 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 | 177145 | 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 | 177145 | 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 | 214341 | 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 | 164675 | 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 | 164675 | 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 | 215311 | 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 | 214415 | 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 | 178037 | 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 | 178037 | 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 | 164751 | 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 | 164751 | 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 | 2670 | 4 | 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 | 2670 | 4 | 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 | 2670 | 4 | 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 | 215047 | 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 | 177747 | 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 | 177747 | 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 | 178041 | 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 | 178041 | 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 | 185894 | 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 | 185894 | 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 | 214396 | 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 | 177747 | 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 | 177747 | 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 | 177747 | 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 | 177747 | 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 | 174495 | 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 | 174495 | 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 | 185886 | 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 | 185886 | 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 | 184652 | 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 | 184652 | 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 | 184928 | 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 | 184928 | 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 | 214992 | 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 | 177227 | 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 | 177227 | 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 | 185739 | 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 | 185739 | 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 | 215476 | 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 | 170895 | 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 | 170895 | 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 | 170895 | 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 | 170895 | 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 | 167509 | 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 | 167509 | 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 | 167509 | 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 | 185611 | 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 | 185611 | 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 | 163726 | 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 | 163726 | 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 | 163726 | 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 | 163726 | 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 | 214992 | 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 | 164458 | 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 | 164458 | 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 | 214549 | 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 | |||||
| 19027172 | 62054 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 354 | 5 | 1 | 2 | 5.8 | O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1 | 10.1021/acs.jmedchem.5b01972 | |||
| CHEMBL1774882 | 62054 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 354 | 5 | 1 | 2 | 5.8 | O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1 | 10.1021/acs.jmedchem.5b01972 | |||
| 139392339 | 177327 | 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 | 177327 | 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 | 184562 | 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 | 184562 | 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 | 122915 | 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 | 122915 | 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 | 122915 | 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 | 122915 | 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 | 122915 | 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 | 122915 | 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 | 214881 | 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 | 185739 | 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 | 185739 | 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 | 178222 | 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 | 178222 | 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 | 177915 | 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 | 177915 | 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 | 177555 | 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 | 177555 | 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 | 214561 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 2669 | 4 | 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 | 184504 | 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 | 184504 | 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 | 214415 | 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 | 214457 | 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 | 178222 | 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 | 178222 | 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 | 214734 | 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 | 214881 | 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 | 177488 | 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 | 177488 | 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 | 185960 | 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 | 185960 | 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 | 214014 | 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 | 10.6019/CHEMBL5210307 | |||||
| CHEMBL4745071 | 214014 | 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 | 10.6019/CHEMBL5210307 | |||||
| CHEMBL5079780 | 214640 | 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 | 214771 | 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 | 214503 | 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 | 214382 | 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 | 174670 | 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 | 174670 | 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 | 178174 | 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 | 178174 | 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 | 214457 | 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 | 185911 | 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 | 185911 | 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 | 215241 | 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 | 177970 | 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 | 177970 | 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 | 214992 | 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 | 167506 | 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 | 167506 | 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 | 167506 | 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 | 163733 | 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 | 163733 | 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 | 163985 | 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 | 163985 | 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 | 177555 | 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 | 177555 | 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 | 167567 | 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 | 167567 | 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 | 167567 | 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 | 167672 | 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 | 167672 | 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 | 167672 | 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 | 177915 | 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 | 177915 | 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 | 214631 | 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 | 185979 | 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 | 185979 | 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 | 163677 | 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 | 163677 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 177763 | 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 | 177763 | 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 | 186617 | 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 | 186617 | 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 | 167550 | 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 | 167550 | 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 | 167550 | 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 | 214660 | 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 | 186188 | 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 | 186188 | 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 | 178095 | 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 | 178095 | 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 | 214396 | 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 | 167709 | 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 | 167709 | 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 | 167709 | 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 | 177145 | 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 | 177145 | 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 | 172500 | 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 | 172500 | 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 | 172500 | 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 | 172500 | 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 | 172500 | 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 | 172500 | 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 | 163767 | 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 | 163767 | 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 | 215361 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 169916 | 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 | 169916 | 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 | 163894 | 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 | 163894 | 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 | 185008 | 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 | 185008 | 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 | 167540 | 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 | 167540 | 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 | 167540 | 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 | 164290 | 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 | 164290 | 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 | 164331 | 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 | 164331 | 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 | 164331 | 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 | 164331 | 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 | 164331 | 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 | 164331 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 214332 | 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 | 184901 | 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 | 184901 | 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 | 164849 | 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 | 164849 | 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 | 177915 | 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 | 177915 | 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 | 164457 | 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 | 164457 | 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 | 178009 | 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 | 178009 | 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 | 214929 | 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 | 184870 | 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 | 184870 | 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 | 186528 | 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 | 186528 | 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 | 167507 | 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 | 167507 | 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 | 167507 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 215082 | 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 | 215082 | 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 | 2670 | 4 | 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 | 2670 | 4 | 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 | 2670 | 4 | 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 | 172100 | 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 | 172100 | 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 | 186488 | 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 | 186488 | 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 | 164477 | 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 | 164477 | 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 | 163850 | 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 | 163850 | 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 | 178174 | 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 | 178174 | 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 | 177132 | 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 | 177132 | 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 | 215429 | 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 | |||||
| CHEMBL5271821 | 193700 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1211 | 21 | 6 | 14 | 12.0 | CC(=O)c1cc(C(=O)NCCCCCCn2cc(CCCCN3CCC(c4ccc(-c5cc(C(=O)O)cc6cc(-c7ccc(C(F)(F)F)cc7)ccc56)cc4)CC3)nn2)ccc1-c1c2ccc(=N)c(S(=O)(=O)O)c-2oc2c(S(=O)(=O)O)c(N)ccc12 | 10.1021/acs.jmedchem.5b01972 | |||
| 124221650 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 62073 | 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 | 62073 | 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 | |||
| 53234015 | 61681 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5c(c4)OCO5)nc(-c4ccccc4C)c3C2)c1 | 10.1021/acs.jmedchem.5b01972 | |||
| CHEMBL1771456 | 61681 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 6.0 | CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5c(c4)OCO5)nc(-c4ccccc4C)c3C2)c1 | 10.1021/acs.jmedchem.5b01972 | |||
| 42611190 | 3156 | 12 | 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 | 10.6019/CHEMBL5212743 | |||
| 5802 | 3156 | 12 | 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 | 10.6019/CHEMBL5212743 | |||
| CHEMBL1800685 | 3156 | 12 | 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 | 10.6019/CHEMBL5212743 | |||
| 68530100 | 87463 | 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 | 87463 | 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 | 87467 | 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 | 87467 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 690 | 52 | 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 | 690 | 52 | 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 | 690 | 52 | 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 | 62073 | 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 | 62073 | 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 | 87465 | 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 | 87465 | 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 | 214014 | 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 | 10.6019/CHEMBL5210121 | |||||
| CHEMBL4745071 | 214014 | 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 | 10.6019/CHEMBL5210121 | |||||
| 124221650 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 2667 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | 3156 | 12 | 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 | |||